Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P74L430293
EPA CompTox DTXSID1022136

Structure

InChI Key OTJZCIYGRUNXTP-UHFFFAOYSA-N
Smiles OCCC#C
InChI
InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O1
Molecular Weight 70.04
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 927-74-2
NORMAN SUSDAT
FDA SRS P74L430293
PubChem 13566
ChemSpider 12977.0