Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6PF2SH405U
EPA CompTox DTXSID9061592

Structure

InChI Key SHQSVMDWKBRBGB-UHFFFAOYSA-N
Smiles O=C1CCC1
InChI
InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O1
Molecular Weight 70.04
AlogP 0.74
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 1191-95-3
NORMAN SUSDAT
FDA SRS 6PF2SH405U
PubChem 14496
ChemSpider 13840.0