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1571-08-0 | Benzoic acid, 4-formyl-, methyl ester
CAS No: 1571-08-0 Catalog No: AG001P7S MDL No:MFCD00006950
Product Description
Catalog Number:
AG001P7S
Chemical Name:
Benzoic acid, 4-formyl-, methyl ester
CAS Number:
1571-08-0
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00006950
IUPAC Name:
methyl 4-formylbenzoate
InChI:
InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
InChI Key:
FEIOASZZURHTHB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C=O
EC Number:
216-385-5
UNII:
NH766742VV
NSC Number:
28459
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Bis{μ-(E)-methyl 4-[(2-carbamothio-ylhydrazinyl-idene)meth-yl]benzoate-κS:S}bis-[iodido(triphenyl-phosphane-κP)copper(I)]. | Acta crystallographica. Section E, Structure reports online 20111101 |
| 4-Carbomethoxybenzaldehyde as a highly sensitive pre-column fluorescence derivatization reagent for 9,10-phenanthrenequinone. | Talanta 20110715 |
| N-silyl oxyketene imines are underused yet highly versatile reagents for catalytic asymmetric synthesis. | Nature chemistry 20101101 |
| Methyl 4-(1H-benzimidazol-2-yl)benzoate trihydrate. | Acta crystallographica. Section E, Structure reports online 20101101 |
| Shoot differentiation from protocorm callus cultures of Vanilla planifolia (Orchidaceae): proteomic and metabolic responses at early stage. | BMC plant biology 20100101 |
| Potent and selective inhibitors of breast cancer resistance protein (ABCG2) derived from the p-glycoprotein (ABCB1) modulator tariquidar. | Journal of medicinal chemistry 20090226 |
| Organocatalysis by bimacrocyclic NHCs: unexpected formation of a cyclic hemiacetal instead of a gamma-butyrolactone. | Organic & biomolecular chemistry 20090207 |
| Synthesis and discovery of high affinity folate receptor-specific glycinamide ribonucleotide formyltransferase inhibitors with antitumor activity. | Journal of medicinal chemistry 20080828 |
| Factors affecting the selectivity of the oxidation of methyl p-toluate by cobalt(III). | Inorganic chemistry 20080317 |
| Synthesis and GIAO NMR calculations for some new 4,5-dihydro-1H-1,2,4-triazol-5-one derivatives: comparison of theoretical and experimental 1H and 13C chemical shifts. | Magnetic resonance in chemistry : MRC 20050701 |
| Solid-phase synthesis of 1-substituted tetrahydroisoquinoline derivatives employing BOC-protected tetrahydroisoquinoline carboxylic acids. | Journal of combinatorial chemistry 20040101 |
| The preparation of a series of nitrostilbene ester compounds using micro reactor technology. | The Analyst 20010101 |
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