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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5NO2
Molecular Weight 135.1201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GENTISONITRILE

SMILES

OC1=CC=C(O)C(=C1)C#N

InChI

InChIKey=APGLXTXFTYAQKC-UHFFFAOYSA-N
InChI=1S/C7H5NO2/c8-4-5-3-6(9)1-2-7(5)10/h1-3,9-10H

HIDE SMILES / InChI

Molecular Formula C7H5NO2
Molecular Weight 135.1201
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 19:25:31 GMT 2025
Edited
by admin
on Tue Apr 01 19:25:31 GMT 2025
Record UNII
D72T49A73C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GENTISONITRILE
Common Name English
2,5-DIHYDROXYBENZONITRILE
Preferred Name English
BENZONITRILE, 2,5-DIHYDROXY-
Systematic Name English
Code System Code Type Description
CAS
4640-29-3
Created by admin on Tue Apr 01 19:25:31 GMT 2025 , Edited by admin on Tue Apr 01 19:25:31 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-068-0
Created by admin on Tue Apr 01 19:25:31 GMT 2025 , Edited by admin on Tue Apr 01 19:25:31 GMT 2025
PRIMARY
FDA UNII
D72T49A73C
Created by admin on Tue Apr 01 19:25:31 GMT 2025 , Edited by admin on Tue Apr 01 19:25:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID80196834
Created by admin on Tue Apr 01 19:25:31 GMT 2025 , Edited by admin on Tue Apr 01 19:25:31 GMT 2025
PRIMARY
PUBCHEM
78374
Created by admin on Tue Apr 01 19:25:31 GMT 2025 , Edited by admin on Tue Apr 01 19:25:31 GMT 2025
PRIMARY