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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O3
Molecular Weight 220.2643
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Hexanoylbenzoic acid

SMILES

CCCCCC(=O)C1=C(C=CC=C1)C(O)=O

InChI

InChIKey=FNNFFONWVVWVJD-UHFFFAOYSA-N
InChI=1S/C13H16O3/c1-2-3-4-9-12(14)10-7-5-6-8-11(10)13(15)16/h5-8H,2-4,9H2,1H3,(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-Hexanoylbenzoic acid
Systematic Name English
Benzoic acid, 2-(1-oxohexyl)
Systematic Name English
2-(1-Oxohexyl)benzoic acid
Systematic Name English
Benzoic acid, o-hexanoyl
Systematic Name English
Code System Code Type Description
FDA UNII
4R3VVB6HBX
Created by admin on Sat Dec 16 19:46:21 GMT 2023 , Edited by admin on Sat Dec 16 19:46:21 GMT 2023
PRIMARY
CAS
857538-11-5
Created by admin on Sat Dec 16 19:46:21 GMT 2023 , Edited by admin on Sat Dec 16 19:46:21 GMT 2023
PRIMARY
PUBCHEM
12731798
Created by admin on Sat Dec 16 19:46:21 GMT 2023 , Edited by admin on Sat Dec 16 19:46:21 GMT 2023
PRIMARY
NIH
NCATS
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