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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO
Molecular Weight 133.1473
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methoxybenzonitrile

SMILES

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

InChI

InChIKey=KLXSUMLEPNAZFK-UHFFFAOYSA-N
InChI=1S/C8H7NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C8H7NO
Molecular Weight 133.1473
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 Sat Dec 16 12:33:54 GMT 2023
Edited
by admin
on Sat Dec 16 12:33:54 GMT 2023
Record UNII
UY5E89BBS6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Methoxybenzonitrile
Systematic Name English
NSC-225049
Code English
Benzonitrile, m-methoxy-
Systematic Name English
Benzonitrile, 3-methoxy-
Systematic Name English
m-Anisonitrile
Systematic Name English
m-Cyanoanisole
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4074695
Created by admin on Sat Dec 16 12:33:54 GMT 2023 , Edited by admin on Sat Dec 16 12:33:54 GMT 2023
PRIMARY
NSC
225049
Created by admin on Sat Dec 16 12:33:54 GMT 2023 , Edited by admin on Sat Dec 16 12:33:54 GMT 2023
PRIMARY
FDA UNII
UY5E89BBS6
Created by admin on Sat Dec 16 12:33:54 GMT 2023 , Edited by admin on Sat Dec 16 12:33:54 GMT 2023
PRIMARY
PUBCHEM
73712
Created by admin on Sat Dec 16 12:33:54 GMT 2023 , Edited by admin on Sat Dec 16 12:33:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-201-3
Created by admin on Sat Dec 16 12:33:54 GMT 2023 , Edited by admin on Sat Dec 16 12:33:54 GMT 2023
PRIMARY
CAS
1527-89-5
Created by admin on Sat Dec 16 12:33:54 GMT 2023 , Edited by admin on Sat Dec 16 12:33:54 GMT 2023
PRIMARY