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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H6O3
Molecular Weight 162.1421
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COUMARILIC ACID

SMILES

OC(=O)C1=CC2=C(O1)C=CC=C2

InChI

InChIKey=OFFSPAZVIVZPHU-UHFFFAOYSA-N
InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H6O3
Molecular Weight 162.1421
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Identifying regulators for EAG1 channels with a novel electrophysiology and tryptophan fluorescence based screen.
2010-09-02
A new benzofuranic acid from the leaves of Rhus alata.
2008-03-20
Synthesis and structural characterization of derivatives of 2- and 3-benzo[b]furan carboxylic acids with potential cytotoxic activity.
2004-12-15
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.
2004-05-06
Synthesis and conformational analysis of a coumarinic acid-based cyclic prodrug of an opioid peptide with modified sensitivity to esterase-catalyzed bioconversion.
2002-04
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:58:07 GMT 2025
Edited
by admin
on Mon Mar 31 19:58:07 GMT 2025
Record UNII
7Z6NMG947L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-6165
Preferred Name English
COUMARILIC ACID
MI  
Common Name English
COUMARILIC ACID [MI]
Common Name English
COUMARONE-2-CARBOXYLIC ACID
Common Name English
2-BENZOFURANCARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
7Z6NMG947L
Created by admin on Mon Mar 31 19:58:07 GMT 2025 , Edited by admin on Mon Mar 31 19:58:07 GMT 2025
PRIMARY
CAS
496-41-3
Created by admin on Mon Mar 31 19:58:07 GMT 2025 , Edited by admin on Mon Mar 31 19:58:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID2060090
Created by admin on Mon Mar 31 19:58:07 GMT 2025 , Edited by admin on Mon Mar 31 19:58:07 GMT 2025
PRIMARY
PUBCHEM
10331
Created by admin on Mon Mar 31 19:58:07 GMT 2025 , Edited by admin on Mon Mar 31 19:58:07 GMT 2025
PRIMARY
NSC
6165
Created by admin on Mon Mar 31 19:58:07 GMT 2025 , Edited by admin on Mon Mar 31 19:58:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-818-9
Created by admin on Mon Mar 31 19:58:07 GMT 2025 , Edited by admin on Mon Mar 31 19:58:07 GMT 2025
PRIMARY
MERCK INDEX
m3819
Created by admin on Mon Mar 31 19:58:07 GMT 2025 , Edited by admin on Mon Mar 31 19:58:07 GMT 2025
PRIMARY Merck Index