Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LV7R5J7XPV
EPA CompTox DTXSID5062184

Structure

InChI Key XYVQFUJDGOBPQI-UHFFFAOYSA-N
Smiles COC(=O)C(C)(C)O
InChI
InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O3
Molecular Weight 118.06
AlogP -0.07
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 46.53
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2110-78-3
NORMAN SUSDAT
FDA SRS LV7R5J7XPV
PubChem 75024
ChemSpider 67577.0