Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID401007267

Structure

InChI Key MKDRHMDHWIBVRH-UHFFFAOYSA-N
Smiles OC(CN)C1OC(OC1)(C)C
InChI
InChI=1/C7H15NO3/c1-7(2)10-4-6(11-7)5(9)3-8/h5-6,9H,3-4,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15NO3
Molecular Weight 161.11
AlogP -0.54
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 64.71
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 87032-71-1
NORMAN SUSDAT
PubChem 11971028