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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9N
Molecular Weight 143.1852
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-methylphenyl)acrylonitrile

SMILES

CC1=CC=C(\C=C\C#N)C=C1

InChI

InChIKey=WHECQDVQLPVCRX-NSCUHMNNSA-N
InChI=1S/C10H9N/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,1H3/b3-2+

HIDE SMILES / InChI

Molecular Formula C10H9N
Molecular Weight 143.1852
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 Wed Apr 02 20:04:30 GMT 2025
Edited
by admin
on Wed Apr 02 20:04:30 GMT 2025
Record UNII
KF86CC6RTR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(E)-4-Methylcinnamonitrile
Preferred Name English
3-(4-methylphenyl)acrylonitrile
Systematic Name English
p-Methylcinnamonitrile
Common Name English
2-Propenenitrile, 3-(4-methylphenyl)-, (2E)-
Systematic Name English
4-Methylcinnamonitrile
Common Name English
(E)-p-Methylcinnamonitrile
Common Name English
2-Propenenitrile, 3-(4-methylphenyl)-
Systematic Name English
3-(p-Tolyl)acrylonitrile
Common Name English
3-(4-Methylphenyl)-2-propenenitrile
Systematic Name English
trans-4-Methylcinnamonitrile
Common Name English
Code System Code Type Description
CAS
28446-70-0
Created by admin on Wed Apr 02 20:04:30 GMT 2025 , Edited by admin on Wed Apr 02 20:04:30 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
ECHA (EC/EINECS)
249-024-5
Created by admin on Wed Apr 02 20:04:30 GMT 2025 , Edited by admin on Wed Apr 02 20:04:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID101292615
Created by admin on Wed Apr 02 20:04:30 GMT 2025 , Edited by admin on Wed Apr 02 20:04:30 GMT 2025
PRIMARY
CAS
35121-93-8
Created by admin on Wed Apr 02 20:04:30 GMT 2025 , Edited by admin on Wed Apr 02 20:04:30 GMT 2025
PRIMARY
FDA UNII
KF86CC6RTR
Created by admin on Wed Apr 02 20:04:30 GMT 2025 , Edited by admin on Wed Apr 02 20:04:30 GMT 2025
PRIMARY
PUBCHEM
5463088
Created by admin on Wed Apr 02 20:04:30 GMT 2025 , Edited by admin on Wed Apr 02 20:04:30 GMT 2025
PRIMARY