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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O2
Molecular Weight 150.1745
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-ETHYLBENZOIC ACID

SMILES

CCC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=ZQVKTHRQIXSMGY-UHFFFAOYSA-N
InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H10O2
Molecular Weight 150.1745
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Regioselective oxidation of indole- and quinolinecarboxylic acids by cytochrome P450 CYP199A2.
2010-02
Does mycorrhization influence herbivore-induced volatile emission in Medicago truncatula?
2010-02
catena-Poly[[aqua-(4-ethyl-benzoic acid-κO)lanthanum(III)]-tri-μ-4-ethyl-benzoato].
2010-01-20
A highly reactive p450 model compound I.
2009-07-22
The effects of arbuscular mycorrhizal fungi on direct and indirect defense metabolites of Plantago lanceolata L.
2009-07
Crystal structure of CYP199A2, a para-substituted benzoic acid oxidizing cytochrome P450 from Rhodopseudomonas palustris.
2008-11-14
Tetra-kis(μ-4-ethyl-benzoato-κO:O')-bis-[(4-ethyl-benzoic acid-κO)copper(II)].
2008-06-19
Cytochrome P450 enzymes from the metabolically diverse bacterium Rhodopseudomonas palustris.
2006-03-31
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:16:59 GMT 2025
Edited
by admin
on Mon Mar 31 19:16:59 GMT 2025
Record UNII
9TKM8P0G6R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-59888
Preferred Name English
4-ETHYLBENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-ETHYL-
Common Name English
BENZOIC ACID, P-ETHYL-
Common Name English
P-ETHYLBENZOIC ACID
Common Name English
Code System Code Type Description
FDA UNII
9TKM8P0G6R
Created by admin on Mon Mar 31 19:16:59 GMT 2025 , Edited by admin on Mon Mar 31 19:16:59 GMT 2025
PRIMARY
NSC
59888
Created by admin on Mon Mar 31 19:16:59 GMT 2025 , Edited by admin on Mon Mar 31 19:16:59 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-605-3
Created by admin on Mon Mar 31 19:16:59 GMT 2025 , Edited by admin on Mon Mar 31 19:16:59 GMT 2025
PRIMARY
PUBCHEM
12086
Created by admin on Mon Mar 31 19:16:59 GMT 2025 , Edited by admin on Mon Mar 31 19:16:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID3073212
Created by admin on Mon Mar 31 19:16:59 GMT 2025 , Edited by admin on Mon Mar 31 19:16:59 GMT 2025
PRIMARY
CAS
619-64-7
Created by admin on Mon Mar 31 19:16:59 GMT 2025 , Edited by admin on Mon Mar 31 19:16:59 GMT 2025
PRIMARY