Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T88NXO102K
EPA CompTox DTXSID60238923

Structure

InChI Key IMAKHNTVDGLIRY-UHFFFAOYSA-N
Smiles COC(=O)C#C
InChI
InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4O2
Molecular Weight 84.02
AlogP -0.21
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 922-67-8
NORMAN SUSDAT
FDA SRS T88NXO102K
PubChem 13536
ChemSpider 12948.0