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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H8
Molecular Weight 116.1598
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYLACETYLENE

SMILES

C#CCC1=CC=CC=C1

InChI

InChIKey=NGKSKVYWPINGLI-UHFFFAOYSA-N
InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H2

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZENE, 2-PROPYNYL-
Preferred Name English
BENZYLACETYLENE
Common Name English
3-PHENYLPROPYNE
Systematic Name English
BENZENE, (2-PROPYNYL)-
Common Name English
PROPARGYLBENZENE
Common Name English
PROPYNE, 3-PHENYL-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00143941
Created by admin on Wed Apr 02 00:32:41 GMT 2025 , Edited by admin on Wed Apr 02 00:32:41 GMT 2025
PRIMARY
PUBCHEM
575753
Created by admin on Wed Apr 02 00:32:41 GMT 2025 , Edited by admin on Wed Apr 02 00:32:41 GMT 2025
PRIMARY
FDA UNII
EU32H24A0A
Created by admin on Wed Apr 02 00:32:41 GMT 2025 , Edited by admin on Wed Apr 02 00:32:41 GMT 2025
PRIMARY
CAS
10147-11-2
Created by admin on Wed Apr 02 00:32:41 GMT 2025 , Edited by admin on Wed Apr 02 00:32:41 GMT 2025
PRIMARY