Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MC6RG6N5HQ
EPA CompTox DTXSID00147489

Structure

InChI Key OVYWXUZVOLNCBE-UHFFFAOYSA-N
Smiles CC(C)(O)C#CCO
InChI
InChI=1S/C6H10O2/c1-6(2,8)4-3-5-7/h7-8H,5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O2
Molecular Weight 114.07
AlogP -0.25
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 10605-66-0
NORMAN SUSDAT
FDA SRS MC6RG6N5HQ
PubChem 82766
ChemSpider 74690.0