Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2F6R58AT4Y
EPA CompTox DTXSID60964654

Structure

InChI Key RLMGYIOTPQVQJR-UHFFFAOYSA-N
Smiles OC1CCCC(O)C1
InChI
InChI=1/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O2
Molecular Weight 116.08
AlogP 0.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 504-01-8
NORMAN SUSDAT
FDA SRS 2F6R58AT4Y
PubChem 10433