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619-66-9 | 4-Formylbenzoic acid
CAS No: 619-66-9 Catalog No: AG003LGI MDL No:MFCD00006951
Product Description
Catalog Number:
AG003LGI
Chemical Name:
4-Formylbenzoic acid
CAS Number:
619-66-9
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
MDL Number:
MFCD00006951
IUPAC Name:
4-formylbenzoic acid
InChI:
InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
InChI Key:
GOUHYARYYWKXHS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)O
EC Number:
210-607-4
UNII:
UES4QRK36E
NSC Number:
15797
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.133g/mol
Monoisotopic Mass:
150.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Rational substrate and enzyme engineering of transketolase for aromatics. | Organic & biomolecular chemistry 20121207 |
| (2,2'-Bipyridine-κ(2)N,N')bis-(4-formyl-benzoato-κO(1))copper(II). | Acta crystallographica. Section E, Structure reports online 20120801 |
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| Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))cobalt(II). | Acta crystallographica. Section E, Structure reports online 20120801 |
| Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))zinc. | Acta crystallographica. Section E, Structure reports online 20120801 |
| Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))copper(II). | Acta crystallographica. Section E, Structure reports online 20120701 |
| Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))nickel(II). | Acta crystallographica. Section E, Structure reports online 20120701 |
| Simultaneous determination of nine related substances in p-phthalic acid residue by RP-HPLC. | Journal of chromatographic science 20120501 |
| catena-Poly[[(μ-3-hy-droxy-benzoato-κO,O:O)(μ-3-hy-droxy-benzoato-κO,O:O)(isonicotinamide-κN)-lead(II)] monohydrate]. | Acta crystallographica. Section E, Structure reports online 20120301 |
| Bis(μ-3-hy-droxy-benzoato)-κO,O:O;κO:O,O-bis-[(3-hy-droxy-benzoato-κO,O')(iso-nicotinamide-κN)cadmium] tetra-hydrate. | Acta crystallographica. Section E, Structure reports online 20120201 |
| Ethyl 2-(4-carb-oxy-benzyl-idene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate-N,N-dimethyl-formamide (1/1). | Acta crystallographica. Section E, Structure reports online 20120201 |
| Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers. | Nature chemistry 20120101 |
| Targeting strategies for multifunctional nanoparticles in cancer imaging and therapy. | Theranostics 20120101 |
| The first metal-organic framework containing an unprecedented in situ-generated C-substituted hexamethylenetetramine ligand. | Dalton transactions (Cambridge, England : 2003) 20110214 |
| Preparation of catalytically active, covalent α-polylysine-enzyme conjugates via UV/vis-quantifiable bis-aryl hydrazone bond formation. | Biomacromolecules 20110110 |
| Small-molecule inhibitor leads of ribosome-inactivating proteins developed using the doorstop approach. | PloS one 20110101 |
| catena-Poly[[[diaqua-cobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κO,O:O-[tetra-aqua-cobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κO:O,O] dihydrate]. | Acta crystallographica. Section E, Structure reports online 20110101 |
| Post-coupling strategy enables true receptor-targeted nanoparticles. | Journal of RNAi and gene silencing : an international journal of RNA and gene targeting research 20110101 |
| Bis[μ-4-(methyl-amino)-benzoato]-κO,O':O;κO:O,O'-bis-{aqua-[4-(methyl-amino)-benzoato-κO,O'](nicotinamide-κN)cadmium(II)}. | Acta crystallographica. Section E, Structure reports online 20101201 |
| PEGylated polyamidoamine dendrimers with bis-aryl hydrazone linkages for enhanced gene delivery. | Biomacromolecules 20100809 |
| A comparative study of the self-immolation of para-aminobenzylalcohol and hemithioaminal-based linkers in the context of protease-sensitive fluorogenic probes. | Organic & biomolecular chemistry 20100421 |
| Imaging and treating tumor vasculature with targeted radiolabeled carbon nanotubes. | International journal of nanomedicine 20100101 |
| Bacillus Calmette Guerin induces fibroblast activation both directly and through macrophages in a mouse bladder cancer model. | PloS one 20100101 |
| A strategy for the systematic development of a liquid chromatographic mass spectrometric screening method for polymer electrolyte membrane degradation products using isocratic and gradient phase optimized liquid chromatography. | Journal of chromatography. A 20091218 |
| catena-Poly[[(4-formyl-benzoato-κO)(isonicotinamide-κN)zinc(II)]-μ-4-formyl-benzoato-κO:O]. | Acta crystallographica. Section E, Structure reports online 20091101 |
| Aqua-bis(4-formyl-benzoato-κO,O)bis-(isonicotinamide-κN)cadmium(II) monohydrate. | Acta crystallographica. Section E, Structure reports online 20091101 |
| Tetra-aqua-bis(isonicotinamide-κN)nickel(II) bis-(4-formyl-benzoate) dihydrate. | Acta crystallographica. Section E, Structure reports online 20090901 |
| Tetra-aqua-bis(isonicotinamide-κN)cobalt(II) bis-(4-formyl-benzoate) dihydrate. | Acta crystallographica. Section E, Structure reports online 20090901 |
| 4-{(E)-N'-[2-(8-Quinolyloxy)acetyl]hydrazonomethyl}benzoic acid methanol solvate. | Acta crystallographica. Section E, Structure reports online 20090701 |
| Impact of linker strain and flexibility in the design of a fragment-based inhibitor. | Nature chemical biology 20090601 |
| Diaqua-bis(N,N-diethyl-nicotinamide-κN)bis-(4-formyl-benzoato-κO)cobalt(II). | Acta crystallographica. Section E, Structure reports online 20090401 |
| Diaqua-bis(N,N-diethyl-nicotinamide-κN)bis-(4-formyl-benzoato-κO)manganese(II). | Acta crystallographica. Section E, Structure reports online 20090301 |
| Diaqua-bis(N,N-diethyl-nicotinamide-κN)bis-(4-formyl-benzoato-κO)nickel(II). | Acta crystallographica. Section E, Structure reports online 20090301 |
| Charge effect on the photoinactivation of Gram-negative and Gram-positive bacteria by cationic meso-substituted porphyrins. | BMC microbiology 20090101 |
| Biodegradability enhancement of purified terephthalic acid wastewater by coagulation-flocculation process as pretreatment. | Journal of hazardous materials 20080615 |
| Identification and characterization of a plastid-localized Arabidopsis glyoxylate reductase isoform: comparison with a cytosolic isoform and implications for cellular redox homeostasis and aldehyde detoxification. | Journal of experimental botany 20080601 |
| Tetra-aqua-bis(4-formyl-benzoato-κO)cobalt(II) tetra-hydrate. | Acta crystallographica. Section E, Structure reports online 20080301 |
| Diaqua-bis(4-formyl-benzoato-κO)zinc(II). | Acta crystallographica. Section E, Structure reports online 20080301 |
| 4-[(5R*,10bR*)-2-Methyl-1,10b-dihydro-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoic acid. | Acta crystallographica. Section E, Structure reports online 20080301 |
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