Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SJ8A65XF7N
EPA CompTox DTXSID3060790

Structure

InChI Key IJNJLGFTSIAHEA-UHFFFAOYSA-N
Smiles O=CC#C
InChI
InChI=1S/C3H2O/c1-2-3-4/h1,3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2O1
Molecular Weight 54.01
AlogP -0.18
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 624-67-9
NORMAN SUSDAT
FDA SRS SJ8A65XF7N
PubChem 12222
ChemSpider 11721.0