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619-64-7 | 4-Ethylbenzoic acid
CAS No: 619-64-7 Catalog No: AG00340R MDL No:MFCD00002570
Product Description
Catalog Number:
AG00340R
Chemical Name:
4-Ethylbenzoic acid
CAS Number:
619-64-7
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD00002570
IUPAC Name:
4-ethylbenzoic acid
InChI:
InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key:
ZQVKTHRQIXSMGY-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)O
EC Number:
210-605-3
UNII:
9TKM8P0G6R
NSC Number:
59888
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Ruthenium(II)-catalyzed synthesis of hydroxylated arenes with ester as an effective directing group. | Organic letters 20120601 |
| 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 |
| catena-Poly[[[bis-(4-ethyl-benzoato-κO,O')lead(II)]-μ-nicotinamide-κN:O] monohydrate]. | Acta crystallographica. Section E, Structure reports online 20110801 |
| Diaqua-bis-(N,N'-diethyl-nicotinamide-κN)bis-(4-ethyl-benzoato-κO)copper(II). | Acta crystallographica. Section E, Structure reports online 20110601 |
| Diaqua-bis-(N,N-diethyl-nicotinamide-κN)bis-(4-ethyl-benzoato-κO)cobalt(II). | Acta crystallographica. Section E, Structure reports online 20110501 |
| Bis(4-ethyl-benzoato-κO)bis-(nicotin-amide-κN)zinc(II). | Acta crystallographica. Section E, Structure reports online 20110301 |
| Does mycorrhization influence herbivore-induced volatile emission in Medicago truncatula? | Mycorrhiza 20100201 |
| Regioselective oxidation of indole- and quinolinecarboxylic acids by cytochrome P450 CYP199A2. | Applied microbiology and biotechnology 20100201 |
| catena-Poly[[aqua-(4-ethyl-benzoic acid-κO)lanthanum(III)]-tri-μ-4-ethyl-benzoato]. | Acta crystallographica. Section E, Structure reports online 20100201 |
| A highly reactive p450 model compound I. | Journal of the American Chemical Society 20090722 |
| The effects of arbuscular mycorrhizal fungi on direct and indirect defense metabolites of Plantago lanceolata L. | Journal of chemical ecology 20090701 |
| Crystal structure of CYP199A2, a para-substituted benzoic acid oxidizing cytochrome P450 from Rhodopseudomonas palustris. | Journal of molecular biology 20081114 |
| Tetra-kis(μ-4-ethyl-benzoato-κO:O')-bis-[(4-ethyl-benzoic acid-κO)copper(II)]. | Acta crystallographica. Section E, Structure reports online 20080701 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Cytochrome P450 enzymes from the metabolically diverse bacterium Rhodopseudomonas palustris. | Biochemical and biophysical research communications 20060331 |
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