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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO2
Molecular Weight 161.1574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL CYANOFORMATE

SMILES

O=C(OCC1=CC=CC=C1)C#N

InChI

InChIKey=GDZIODIYBLTRRJ-UHFFFAOYSA-N
InChI=1S/C9H7NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,7H2

HIDE SMILES / InChI

Molecular Formula C9H7NO2
Molecular Weight 161.1574
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 12:23:46 GMT 2023
Edited
by admin
on Sat Dec 16 12:23:46 GMT 2023
Record UNII
BJ8E5TW8AS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL CYANOFORMATE
Systematic Name English
CARBONOCYANIDIC ACID, PHENYLMETHYL ESTER
Systematic Name English
PHENYLMETHYL CARBONOCYANIDATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
226-880-8
Created by admin on Sat Dec 16 12:23:46 GMT 2023 , Edited by admin on Sat Dec 16 12:23:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID10203883
Created by admin on Sat Dec 16 12:23:46 GMT 2023 , Edited by admin on Sat Dec 16 12:23:46 GMT 2023
PRIMARY
PUBCHEM
79660
Created by admin on Sat Dec 16 12:23:46 GMT 2023 , Edited by admin on Sat Dec 16 12:23:46 GMT 2023
PRIMARY
CAS
5532-86-5
Created by admin on Sat Dec 16 12:23:46 GMT 2023 , Edited by admin on Sat Dec 16 12:23:46 GMT 2023
PRIMARY
FDA UNII
BJ8E5TW8AS
Created by admin on Sat Dec 16 12:23:46 GMT 2023 , Edited by admin on Sat Dec 16 12:23:46 GMT 2023
PRIMARY