Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S36O46U3EA
EPA CompTox DTXSID70862677

Structure

InChI Key LDLDJEAVRNAEBW-UHFFFAOYSA-N
Smiles O=C(OC)CC(O)C
InChI
InChI=1/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3

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 2.0
Polar Surface Area 46.53
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1487-49-6
NORMAN SUSDAT
FDA SRS S36O46U3EA
PubChem 15146