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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
Synthesis and conformational analysis of a coumarinic acid-based cyclic prodrug of an opioid peptide with modified sensitivity to esterase-catalyzed bioconversion.
2002 Apr
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.
2004 May 6
Synthesis and structural characterization of derivatives of 2- and 3-benzo[b]furan carboxylic acids with potential cytotoxic activity.
2005 Jun-Jul
A new benzofuranic acid from the leaves of Rhus alata.
2008 Mar 20
Identifying regulators for EAG1 channels with a novel electrophysiology and tryptophan fluorescence based screen.
2010 Sep 2
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:49:55 GMT 2023
Edited
by admin
on Fri Dec 15 19:49:55 GMT 2023
Record UNII
7Z6NMG947L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COUMARILIC ACID
MI  
Common Name English
COUMARILIC ACID [MI]
Common Name English
NSC-6165
Code 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 Fri Dec 15 19:49:55 GMT 2023 , Edited by admin on Fri Dec 15 19:49:55 GMT 2023
PRIMARY
CAS
496-41-3
Created by admin on Fri Dec 15 19:49:55 GMT 2023 , Edited by admin on Fri Dec 15 19:49:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID2060090
Created by admin on Fri Dec 15 19:49:55 GMT 2023 , Edited by admin on Fri Dec 15 19:49:55 GMT 2023
PRIMARY
PUBCHEM
10331
Created by admin on Fri Dec 15 19:49:55 GMT 2023 , Edited by admin on Fri Dec 15 19:49:55 GMT 2023
PRIMARY
NSC
6165
Created by admin on Fri Dec 15 19:49:55 GMT 2023 , Edited by admin on Fri Dec 15 19:49:55 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-818-9
Created by admin on Fri Dec 15 19:49:55 GMT 2023 , Edited by admin on Fri Dec 15 19:49:55 GMT 2023
PRIMARY
MERCK INDEX
m3819
Created by admin on Fri Dec 15 19:49:55 GMT 2023 , Edited by admin on Fri Dec 15 19:49:55 GMT 2023
PRIMARY Merck Index