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Details

Stereochemistry RACEMIC
Molecular Formula C10H8ClNO2
Molecular Weight 209.629
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-chlorophenyl)-3-cyanopropanoic acid

SMILES

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

InChI

InChIKey=HFQBTRVHQUSNRH-UHFFFAOYSA-N
InChI=1S/C10H8ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5H2,(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
3-(4-chlorophenyl)-3-cyanopropanoic acid
Systematic Name English
4-Chloro-β-cyanobenzenepropanoic acid
Systematic Name English
Benzenepropanoic acid, 4-chloro-β-cyano-
Systematic Name English
Code System Code Type Description
CAS
98923-51-4
Created by admin on Sat Dec 16 19:22:52 GMT 2023 , Edited by admin on Sat Dec 16 19:22:52 GMT 2023
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FDA UNII
MTC9H73LV7
Created by admin on Sat Dec 16 19:22:52 GMT 2023 , Edited by admin on Sat Dec 16 19:22:52 GMT 2023
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PUBCHEM
15500725
Created by admin on Sat Dec 16 19:22:52 GMT 2023 , Edited by admin on Sat Dec 16 19:22:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID60573386
Created by admin on Sat Dec 16 19:22:52 GMT 2023 , Edited by admin on Sat Dec 16 19:22:52 GMT 2023
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