U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H12O4
Molecular Weight 280.2748
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(1-Oxo-1H-2-benzopyran-3-yl)methyl]benzoic acid

SMILES

OC(=O)C1=C(CC2=CC3=C(C=CC=C3)C(=O)O2)C=CC=C1

InChI

InChIKey=GCFOLLWPQAGLCM-UHFFFAOYSA-N
InChI=1S/C17H12O4/c18-16(19)14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)17(20)21-13/h1-8,10H,9H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C17H12O4
Molecular Weight 280.2748
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 Wed Apr 02 20:12:30 GMT 2025
Edited
by admin
on Wed Apr 02 20:12:30 GMT 2025
Record UNII
UMU3ND5DB6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(1-Oxo-1H-2-benzopyran-3-yl)methyl]benzoic acid
Systematic Name English
F-1375
Preferred Name English
Benzoic acid, 2-[(1-oxo-1H-2-benzopyran-3-yl)methyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
197836
Created by admin on Wed Apr 02 20:12:30 GMT 2025 , Edited by admin on Wed Apr 02 20:12:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID70208551
Created by admin on Wed Apr 02 20:12:30 GMT 2025 , Edited by admin on Wed Apr 02 20:12:30 GMT 2025
PRIMARY
CAS
5982-23-0
Created by admin on Wed Apr 02 20:12:30 GMT 2025 , Edited by admin on Wed Apr 02 20:12:30 GMT 2025
PRIMARY
FDA UNII
UMU3ND5DB6
Created by admin on Wed Apr 02 20:12:30 GMT 2025 , Edited by admin on Wed Apr 02 20:12:30 GMT 2025
PRIMARY