Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O5MH5V756E
EPA CompTox DTXSID0061080

Structure

InChI Key RYKZRKKEYSRDNF-UHFFFAOYSA-N
Smiles CCC(=C)CC
InChI
InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12
Molecular Weight 84.09
AlogP 2.36
Number of Rotational Bond 2.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 760-21-4
NORMAN SUSDAT
FDA SRS O5MH5V756E
PubChem 12970
ChemSpider 12430.0