Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N960NQ69LF
EPA CompTox DTXSID3074608

Structure

InChI Key QRMHDGWGLNLHMN-UHFFFAOYSA-N
Smiles COCC(=O)OC
InChI
InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8O3
Molecular Weight 104.05
AlogP -0.19
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 35.53
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 6290-49-9
NORMAN SUSDAT
FDA SRS N960NQ69LF
PubChem 80507
ChemSpider 72706.0