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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H5ClO2
Molecular Weight 180.588
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(3-CHLOROPHENYL)-2-PROPYNOIC ACID

SMILES

OC(=O)C#CC1=CC=CC(Cl)=C1

InChI

InChIKey=FRTZPNZKFMZQDR-UHFFFAOYSA-N
InChI=1S/C9H5ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-408175
Preferred Name English
3-(3-CHLOROPHENYL)-2-PROPYNOIC ACID
HSDB  
Systematic Name English
3-(3-CHLOROPHENYL)-2-PROPYNOIC ACID [HSDB]
Common Name English
PROPIOLIC ACID, (M-CHLOROPHENYL)-
Systematic Name English
2-PROPYNOIC ACID, 3-(3-CHLOROPHENYL)-
Systematic Name English
PROPYNOIC ACID, (3-CHLOROPHENYL)-
Systematic Name English
3-(3-CHLOROPHENYL)PROPIOLIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90224692
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY
NSC
408175
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY
CAS
7396-28-3
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY
FDA UNII
2N265Q95PV
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY
HSDB
2674
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY
PUBCHEM
23879
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY