Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ST682FTU47
EPA CompTox DTXSID3074521

Structure

InChI Key XRGPFNGLRSIPSA-UHFFFAOYSA-N
Smiles CC(=O)C#C
InChI
InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4O1
Molecular Weight 68.03
AlogP 0.21
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 1423-60-5
NORMAN SUSDAT
FDA SRS ST682FTU47
PubChem 15018
ChemSpider 14294.0