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Details

Stereochemistry RACEMIC
Molecular Formula C12H16O3
Molecular Weight 208.2541
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(1-HYDROXYPENTYL)BENZOIC ACID

SMILES

CCCCC(c1ccccc1C(=O)O)O

InChI

InChIKey=IEZTYUMJKFZPEW-UHFFFAOYSA-N
InChI=1S/C12H16O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h4-7,11,13H,2-3,8H2,1H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C12H16O3
Molecular Weight 208.2541
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:15:54 UTC 2021
Edited
by admin
on Sat Jun 26 11:15:54 UTC 2021
Record UNII
I57VQ9E8PZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(1-HYDROXYPENTYL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-(1-HYDROXYPENTYL)-
Systematic Name English
BUTYLPHTHALIDE METABOLITE M4
Common Name English
Code System Code Type Description
PUBCHEM
11413929
Created by admin on Sat Jun 26 11:15:54 UTC 2021 , Edited by admin on Sat Jun 26 11:15:54 UTC 2021
PRIMARY
FDA UNII
I57VQ9E8PZ
Created by admin on Sat Jun 26 11:15:54 UTC 2021 , Edited by admin on Sat Jun 26 11:15:54 UTC 2021
PRIMARY
CAS
380905-48-6
Created by admin on Sat Jun 26 11:15:54 UTC 2021 , Edited by admin on Sat Jun 26 11:15:54 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA; URINE