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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H6O
Molecular Weight 130.1433
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenylpropynal

SMILES

O=CC#CC1=CC=CC=C1

InChI

InChIKey=IDASOVSVRKONFS-UHFFFAOYSA-N
InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H

HIDE SMILES / InChI

Molecular Formula C9H6O
Molecular Weight 130.1433
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 19:41:58 GMT 2025
Edited
by admin
on Tue Apr 01 19:41:58 GMT 2025
Record UNII
N4Z6VFC4J5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenylpropynal
Systematic Name English
NSC-47568
Preferred Name English
AI3-33277
Code English
Phenylacetylenecarboxaldehyde
Systematic Name English
Benzenepropiolaldehyde
Systematic Name English
3-Phenylpropynal
Systematic Name English
Phenylpropiolaldehyde
Systematic Name English
3-Phenyl-2-propynal
Systematic Name English
Propiolaldehyde, phenyl-
Systematic Name English
Phenylpropargylaldehyde
Systematic Name English
2-Propynal, 3-phenyl-
Systematic Name English
Code System Code Type Description
NSC
47568
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY
FDA UNII
N4Z6VFC4J5
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY
PUBCHEM
75740
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
219-942-0
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY
CAS
2579-22-8
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID80180455
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY