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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7N
Molecular Weight 117.1479
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-TOLUNITRILE

SMILES

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

InChI

InChIKey=BOHCMQZJWOGWTA-UHFFFAOYSA-N
InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7N
Molecular Weight 117.1479
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 Fri Dec 15 18:14:16 GMT 2023
Edited
by admin
on Fri Dec 15 18:14:16 GMT 2023
Record UNII
AH2J4VY1AK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-TOLUNITRILE
Systematic Name English
3-CYANOTOLUENE
Systematic Name English
M-TOLUNITRILE
Systematic Name English
M-TOLUENENITRILE
Systematic Name English
TOLUNITRILE, M-
Systematic Name English
3-TOLYL CYANIDE
Systematic Name English
M-METHYLBENZONITRILE
Systematic Name English
M-CYANOTOLUENE
Systematic Name English
3-METHYLBENZONITRILE
Systematic Name English
BENZONITRILE, 3-METHYL-
Systematic Name English
NSC-75453
Code English
Code System Code Type Description
EPA CompTox
DTXSID6026167
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY
NSC
75453
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY
FDA UNII
AH2J4VY1AK
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-631-5
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY
CAS
620-22-4
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY
PUBCHEM
12104
Created by admin on Fri Dec 15 18:14:16 GMT 2023 , Edited by admin on Fri Dec 15 18:14:16 GMT 2023
PRIMARY