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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6
Molecular Weight 102.1332
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYNYLBENZENE

SMILES

C#CC1=CC=CC=C1

InChI

InChIKey=UEXCJVNBTNXOEH-UHFFFAOYSA-N
InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H

HIDE SMILES / InChI

Molecular Formula C8H6
Molecular Weight 102.1332
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
239WSR2IBO
Record Status Validated (UNII)
Record Version