Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YCO1SJQ98H
EPA CompTox DTXSID50891268

Structure

InChI Key QMMOXUPEWRXHJS-HWKANZROSA-N
Smiles CCC=CC
InChI
InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10
Molecular Weight 70.08
AlogP 1.97
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 646-04-8
NORMAN SUSDAT
FDA SRS YCO1SJQ98H
PubChem 5326161
ChemSpider 4483639.0