Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20884980

Structure

InChI Key VABBJJOSOCPYIT-UHFFFAOYSA-N
Smiles O=C(OC)C(OC)C
InChI
InChI=1/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O3
Molecular Weight 118.06
AlogP 0.19
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 35.53
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 17639-76-8
NORMAN SUSDAT
PubChem 86599