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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO2
Molecular Weight 161.1574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDOLE-3-CARBOXYLIC ACID

SMILES

OC(=O)C1=CNC2=CC=CC=C12

InChI

InChIKey=KMAKOBLIOCQGJP-UHFFFAOYSA-N
InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C9H7NO2
Molecular Weight 161.1574
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 Fri Dec 15 19:37:14 UTC 2023
Edited
by admin
on Fri Dec 15 19:37:14 UTC 2023
Record UNII
59711R38B0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INDOLE-3-CARBOXYLIC ACID
Systematic Name English
3-INDOLYLCARBOXYLIC ACID
Systematic Name English
3-CARBOXYINDOLE
Systematic Name English
TROPISETRON HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
.BETA.-INDOLYLCARBOXYLIC ACID
Common Name English
3-INDOLEFORMIC ACID
Systematic Name English
1H-INDOLE-3-CARBOXYLIC ACID
Systematic Name English
INDOLE-.BETA.-CARBOXYLIC ACID
Common Name English
Code System Code Type Description
CAS
771-50-6
Created by admin on Fri Dec 15 19:37:14 UTC 2023 , Edited by admin on Fri Dec 15 19:37:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID50227886
Created by admin on Fri Dec 15 19:37:14 UTC 2023 , Edited by admin on Fri Dec 15 19:37:14 UTC 2023
PRIMARY
PUBCHEM
69867
Created by admin on Fri Dec 15 19:37:14 UTC 2023 , Edited by admin on Fri Dec 15 19:37:14 UTC 2023
PRIMARY
CHEBI
24809
Created by admin on Fri Dec 15 19:37:14 UTC 2023 , Edited by admin on Fri Dec 15 19:37:14 UTC 2023
PRIMARY
ECHA (EC/EINECS)
212-231-6
Created by admin on Fri Dec 15 19:37:14 UTC 2023 , Edited by admin on Fri Dec 15 19:37:14 UTC 2023
PRIMARY
FDA UNII
59711R38B0
Created by admin on Fri Dec 15 19:37:14 UTC 2023 , Edited by admin on Fri Dec 15 19:37:14 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP