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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-PHENYLHEXANOIC ACID

SMILES

OC(=O)CCCCCC1=CC=CC=C1

InChI

InChIKey=JTXZPQIXIXYMDY-UHFFFAOYSA-N
InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C12H16O2
Molecular Weight 192.2542
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Poly-3-hydroxyalkanoate synthases from Pseudomonas putida U: substrate specificity and ultrastructural studies.
2008-03
Identification and properties of an inducible phenylacyl-CoA dehydrogenase in Pseudomonas putida KT2440.
2007-08
Effects of chromophore orientation and molecule conformation on surface-enhanced Raman scattering studied with alkanoic acids and colloidal silver nanoparticles.
2006-12-21
Induction and quantification of phenylacyl-CoA ligase enzyme activities in Pseudomonas putida CA-3 grown on aromatic carboxylic acids.
2005-10-15
Bacterial synthesis of polyhydroxyalkanoates containing aromatic and aliphatic monomers by Pseudomonas putida CA-3.
2005-04
Naphthenic acids and surrogate naphthenic acids in methanogenic microcosms.
2001-08
Microbial synthesis of poly(beta-hydroxyalkanoates) bearing phenyl groups from pseudomonas putida: chemical structure and characterization.
2001
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:25:32 GMT 2025
Edited
by admin
on Mon Mar 31 18:25:32 GMT 2025
Record UNII
43U2R7T4EC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-66179
Preferred Name English
6-PHENYLHEXANOIC ACID
Systematic Name English
BENZENEHEXANOIC ACID
Systematic Name English
6-PHENYLCAPROIC ACID
Systematic Name English
HEXANOIC ACID, 6-PHENYL-
Common Name English
Code System Code Type Description
PUBCHEM
79695
Created by admin on Mon Mar 31 18:25:32 GMT 2025 , Edited by admin on Mon Mar 31 18:25:32 GMT 2025
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NSC
66179
Created by admin on Mon Mar 31 18:25:32 GMT 2025 , Edited by admin on Mon Mar 31 18:25:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID90204398
Created by admin on Mon Mar 31 18:25:32 GMT 2025 , Edited by admin on Mon Mar 31 18:25:32 GMT 2025
PRIMARY
CAS
5581-75-9
Created by admin on Mon Mar 31 18:25:32 GMT 2025 , Edited by admin on Mon Mar 31 18:25:32 GMT 2025
PRIMARY
FDA UNII
43U2R7T4EC
Created by admin on Mon Mar 31 18:25:32 GMT 2025 , Edited by admin on Mon Mar 31 18:25:32 GMT 2025
PRIMARY