Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A2E2Y3AQD6
EPA CompTox DTXSID0064177

Structure

InChI Key WLPYSOCRPHTIDZ-UHFFFAOYSA-N
Smiles CCC#CCO
InChI
InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O1
Molecular Weight 84.06
AlogP 0.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 6261-22-9
NORMAN SUSDAT
FDA SRS A2E2Y3AQD6
PubChem 80421
ChemSpider 6094.0