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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H11NO5
Molecular Weight 261.2301
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-FORMYL-5-(HYDROXYMETHYL)-1H-PYRROL-1-YL)-2-HYDROXYBENZOIC ACID

SMILES

OCC1=CC=C(C=O)N1C2=CC=C(O)C(=C2)C(O)=O

InChI

InChIKey=VUXRLABGWNUXQB-UHFFFAOYSA-N
InChI=1S/C13H11NO5/c15-6-9-1-2-10(7-16)14(9)8-3-4-12(17)11(5-8)13(18)19/h1-6,16-17H,7H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C13H11NO5
Molecular Weight 261.2301
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
84588S33E9
Record Status Validated (UNII)
Record Version