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Details

Stereochemistry ACHIRAL
Molecular Formula C11H9NO2
Molecular Weight 187.1947
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-cyano-3-phenyl-2-propenoic acid

SMILES

COC(=O)C(=C\C1=CC=CC=C1)\C#N

InChI

InChIKey=XLNFLJOWTRDNCX-JXMROGBWSA-N
InChI=1S/C11H9NO2/c1-14-11(13)10(8-12)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+

HIDE SMILES / InChI

Molecular Formula C11H9NO2
Molecular Weight 187.1947
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 19:57:49 GMT 2025
Edited
by admin
on Tue Apr 01 19:57:49 GMT 2025
Record UNII
B2NCV386SG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-163367
Preferred Name English
Methyl 2-cyano-3-phenyl-2-propenoic acid
Systematic Name English
Methyl 3-phenyl-2-cyanopropenoate
Systematic Name English
Methyl (E)-2-cyanocinnamate
Common Name English
Cinnamic acid, ?-cyano-, methyl ester
Common Name English
Methyl benzalcyanoacetate
Systematic Name English
Methyl 2-cyano-3-phenyl-2-propenoate
Systematic Name English
2-Propenoic acid, 2-cyano-3-phenyl-, methyl ester, (2E)-
Systematic Name English
Methyl ?-cyanocinnamate
Common Name English
Methyl (2E)-2-cyano-3-phenyl-2-propenoate
Systematic Name English
trans-?-Cyanocinnamic acid methyl ester
Systematic Name English
2-Cyano-3-phenyl-2-propenoic acid methyl ester
Systematic Name English
Code System Code Type Description
CAS
14533-86-9
Created by admin on Tue Apr 01 19:57:49 GMT 2025 , Edited by admin on Tue Apr 01 19:57:49 GMT 2025
PRIMARY
PUBCHEM
674252
Created by admin on Tue Apr 01 19:57:49 GMT 2025 , Edited by admin on Tue Apr 01 19:57:49 GMT 2025
PRIMARY
NSC
163367
Created by admin on Tue Apr 01 19:57:49 GMT 2025 , Edited by admin on Tue Apr 01 19:57:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID101291336
Created by admin on Tue Apr 01 19:57:49 GMT 2025 , Edited by admin on Tue Apr 01 19:57:49 GMT 2025
PRIMARY
CAS
3695-84-9
Created by admin on Tue Apr 01 19:57:49 GMT 2025 , Edited by admin on Tue Apr 01 19:57:49 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
B2NCV386SG
Created by admin on Tue Apr 01 19:57:49 GMT 2025 , Edited by admin on Tue Apr 01 19:57:49 GMT 2025
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> DIASTEREOISOMER