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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HEXYLBENZOIC ACID

SMILES

CCCCCCC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=CPEPWESLFZVUEP-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H18O2
Molecular Weight 206.2808
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:11:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:11:16 GMT 2023
Record UNII
VF567YY01P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HEXYLBENZOIC ACID
Systematic Name English
P-HEXYLBENZOIC ACID
Systematic Name English
4-N-HEXYLBENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-HEXYL-
Systematic Name English
BENZOIC ACID, P-HEXYL-
Systematic Name English
NSC-172887
Code English
P-N-HEXYLBENZOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
30725
Created by admin on Sat Dec 16 12:11:16 GMT 2023 , Edited by admin on Sat Dec 16 12:11:16 GMT 2023
PRIMARY
NSC
172887
Created by admin on Sat Dec 16 12:11:16 GMT 2023 , Edited by admin on Sat Dec 16 12:11:16 GMT 2023
PRIMARY
FDA UNII
VF567YY01P
Created by admin on Sat Dec 16 12:11:16 GMT 2023 , Edited by admin on Sat Dec 16 12:11:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID7066720
Created by admin on Sat Dec 16 12:11:16 GMT 2023 , Edited by admin on Sat Dec 16 12:11:16 GMT 2023
PRIMARY
CAS
21643-38-9
Created by admin on Sat Dec 16 12:11:16 GMT 2023 , Edited by admin on Sat Dec 16 12:11:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-490-6
Created by admin on Sat Dec 16 12:11:16 GMT 2023 , Edited by admin on Sat Dec 16 12:11:16 GMT 2023
PRIMARY