Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1Y8YXB766W
EPA CompTox DTXSID601031044

Structure

InChI Key FPKWGRVMLLIFSY-UHFFFAOYSA-N
Smiles O(C)C1OC1(C)C
InChI
InChI=1/C5H10O2/c1-5(2)4(6-3)7-5/h4H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O2
Molecular Weight 102.07
AlogP 0.77
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 21.76
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 26196-04-3
NORMAN SUSDAT
FDA SRS 1Y8YXB766W
PubChem 93099