Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00936416

Structure

InChI Key RCORSHSFJCXHTF-OLQVQODUSA-N
Smiles OC1COC(OC1)C=C
InChI
InChI=1/C6H10O3/c1-2-6-8-3-5(7)4-9-6/h2,5-7H,1,3-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O3
Molecular Weight 130.06
AlogP -0.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 38.69
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 16081-28-0
NORMAN SUSDAT
PubChem 85274