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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9ClO2
Molecular Weight 196.63
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-chlorocinnamate

SMILES

COC(=O)\C=C\C1=CC=C(Cl)C=C1

InChI

InChIKey=IIBXQGYKZKOORG-QPJJXVBHSA-N
InChI=1S/C10H9ClO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+

HIDE SMILES / InChI

Molecular Formula C10H9ClO2
Molecular Weight 196.63
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:47:46 GMT 2025
Edited
by admin
on Tue Apr 01 19:47:46 GMT 2025
Record UNII
988MT6HG6D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 4-chlorocinnamate
Common Name English
NSC-155559
Preferred Name English
(2E)-Methyl 3-(4-chlorophenyl)prop-2-enoate
Systematic Name English
Methyl 3-(4-chlorophenyl)acrylate
Systematic Name English
2-Propenoic acid, 3-(4-chlorophenyl)-, methyl ester, (2E)-
Systematic Name English
trans-Methyl p-chlorocinnamate
Common Name English
4-Chlorocinnamic acid methyl ester
Systematic Name English
trans-Ethyl 3-(4-chlorophenyl)acrylate
Common Name English
(E)-3-(4-Chlorophenyl)-2-propenoic acid methyl ester
Systematic Name English
Methyl p-chlorocinnamate
Common Name English
E-Methyl 4-chlorocinnamate
Common Name English
Methyl (2E)-3-(4-chlorophenyl)prop-2-enoate
Systematic Name English
Code System Code Type Description
CAS
20754-21-6
Created by admin on Tue Apr 01 19:47:46 GMT 2025 , Edited by admin on Tue Apr 01 19:47:46 GMT 2025
PRIMARY
FDA UNII
988MT6HG6D
Created by admin on Tue Apr 01 19:47:46 GMT 2025 , Edited by admin on Tue Apr 01 19:47:46 GMT 2025
PRIMARY
CAS
7560-44-3
Created by admin on Tue Apr 01 19:47:46 GMT 2025 , Edited by admin on Tue Apr 01 19:47:46 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID701283872
Created by admin on Tue Apr 01 19:47:46 GMT 2025 , Edited by admin on Tue Apr 01 19:47:46 GMT 2025
PRIMARY
NSC
155559
Created by admin on Tue Apr 01 19:47:46 GMT 2025 , Edited by admin on Tue Apr 01 19:47:46 GMT 2025
PRIMARY
PUBCHEM
5314314
Created by admin on Tue Apr 01 19:47:46 GMT 2025 , Edited by admin on Tue Apr 01 19:47:46 GMT 2025
PRIMARY
ECHA (EC/EINECS)
231-451-3
Created by admin on Tue Apr 01 19:47:46 GMT 2025 , Edited by admin on Tue Apr 01 19:47:46 GMT 2025
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> DIASTEREOISOMER