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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H7N
Molecular Weight 129.1586
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CINNAMONITRILE, (E)-

SMILES

N#C\C=C\C1=CC=CC=C1

InChI

InChIKey=ZWKNLRXFUTWSOY-QPJJXVBHSA-N
InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+

HIDE SMILES / InChI

Molecular Formula C9H7N
Molecular Weight 129.1586
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
H475UV3WWH
Record Status Validated (UNII)
Record Version