U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9N
Molecular Weight 131.1745
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methylbenzeneacetonitrile

SMILES

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

InChI

InChIKey=WOJADIOTNFDWNQ-UHFFFAOYSA-N
InChI=1S/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Methylbenzeneacetonitrile
Systematic Name English
NSC-20695
Code English
m-Methylbenzyl cyanide
Common Name English
2-(3-Methylphenyl)acetonitrile
Systematic Name English
m-Methylphenylacetonitrile
Systematic Name English
3-Methylbenzyl cyanide
Common Name English
Benzeneacetonitrile, 3-methyl-
Systematic Name English
Code System Code Type Description
CAS
2947-60-6
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
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NSC
20695
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
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FDA UNII
VK65R23ZZK
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
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EPA CompTox
DTXSID30183673
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
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PUBCHEM
76279
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
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ECHA (EC/EINECS)
220-962-7
Created by admin on Sat Dec 16 12:33:26 GMT 2023 , Edited by admin on Sat Dec 16 12:33:26 GMT 2023
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