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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO
Molecular Weight 147.1739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methoxyphenylacetonitrile

SMILES

COC1=CC=C(CC#N)C=C1

InChI

InChIKey=PACGLQCRGWFBJH-UHFFFAOYSA-N
InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H9NO
Molecular Weight 147.1739
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:31:26 GMT 2025
Edited
by admin
on Tue Apr 01 20:31:26 GMT 2025
Record UNII
34M6VU8U7X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-96
Preferred Name English
4-Methoxyphenylacetonitrile
Systematic Name English
Acetonitrile, (p-methoxyphenyl)-
Systematic Name English
p-Methoxyphenylacetonitrile
Systematic Name English
p-Methoxybenzyl cyanide
Systematic Name English
Benzeneacetonitrile, 4-methoxy-
Systematic Name English
Code System Code Type Description
PUBCHEM
66031
Created by admin on Tue Apr 01 20:31:26 GMT 2025 , Edited by admin on Tue Apr 01 20:31:26 GMT 2025
PRIMARY
FDA UNII
34M6VU8U7X
Created by admin on Tue Apr 01 20:31:26 GMT 2025 , Edited by admin on Tue Apr 01 20:31:26 GMT 2025
PRIMARY
CAS
104-47-2
Created by admin on Tue Apr 01 20:31:26 GMT 2025 , Edited by admin on Tue Apr 01 20:31:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID0051526
Created by admin on Tue Apr 01 20:31:26 GMT 2025 , Edited by admin on Tue Apr 01 20:31:26 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-206-0
Created by admin on Tue Apr 01 20:31:26 GMT 2025 , Edited by admin on Tue Apr 01 20:31:26 GMT 2025
PRIMARY
NSC
96
Created by admin on Tue Apr 01 20:31:26 GMT 2025 , Edited by admin on Tue Apr 01 20:31:26 GMT 2025
PRIMARY