Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K2KS6SX7MM
EPA CompTox DTXSID5073240

Structure

InChI Key BEQGRRJLJLVQAQ-UHFFFAOYSA-N
Smiles CC/C(=C/C)/C
InChI
InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12
Molecular Weight 84.09
AlogP 2.36
Number of Rotational Bond 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 922-61-2
NORMAN SUSDAT
FDA SRS K2KS6SX7MM
PubChem 12014
ChemSpider 11519.0