Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T18L0V4N9I
EPA CompTox DTXSID10862510

Structure

InChI Key OXMIDRBAFOEOQT-UHFFFAOYSA-N
Smiles O1C(C)CCC1C
InChI
InChI=1/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O
Molecular Weight 100.09
AlogP 1.57
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1003-38-9
NORMAN SUSDAT
FDA SRS T18L0V4N9I
PubChem 13855