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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15N
Molecular Weight 185.2649
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl-6-phenyl-3-hexenenitrile

SMILES

C\C(CCC1=CC=CC=C1)=C/CC#N

InChI

InChIKey=XVXZMGMMEQKDRK-WUXMJOGZSA-N
InChI=1S/C13H15N/c1-12(6-5-11-14)9-10-13-7-3-2-4-8-13/h2-4,6-8H,5,9-10H2,1H3/b12-6+

HIDE SMILES / InChI

Molecular Formula C13H15N
Molecular Weight 185.2649
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 19:20:05 GMT 2025
Edited
by admin
on Tue Apr 01 19:20:05 GMT 2025
Record UNII
PK6QB6CKK2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEXENENITRILE, 4-METHYL-6-PHENYL-
Preferred Name English
4-Methyl-6-phenyl-3-hexenenitrile
Systematic Name English
3-Hexenenitrile, 4-methyl-6-phenyl-, (3E)-
Systematic Name English
(3E)-4-Methyl-6-phenyl-3-hexenenitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
6437568
Created by admin on Tue Apr 01 19:20:05 GMT 2025 , Edited by admin on Tue Apr 01 19:20:05 GMT 2025
PRIMARY
CAS
68555-29-3
Created by admin on Tue Apr 01 19:20:05 GMT 2025 , Edited by admin on Tue Apr 01 19:20:05 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
PK6QB6CKK2
Created by admin on Tue Apr 01 19:20:05 GMT 2025 , Edited by admin on Tue Apr 01 19:20:05 GMT 2025
PRIMARY
CAS
2703109-42-4
Created by admin on Tue Apr 01 19:20:05 GMT 2025 , Edited by admin on Tue Apr 01 19:20:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID3071648
Created by admin on Tue Apr 01 19:20:05 GMT 2025 , Edited by admin on Tue Apr 01 19:20:05 GMT 2025
PRIMARY
ECHA (EC/EINECS)
271-420-1
Created by admin on Tue Apr 01 19:20:05 GMT 2025 , Edited by admin on Tue Apr 01 19:20:05 GMT 2025
PRIMARY