Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GG3AYJ4ZA3
EPA CompTox DTXSID10210476

Structure

InChI Key OYQVQWIASIXXRT-UHFFFAOYSA-N
Smiles CCOC(=O)C(=O)CC(=O)C
InChI
InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10O4
Molecular Weight 158.06
AlogP 0.1
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 60.44
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 615-79-2
NORMAN SUSDAT
FDA SRS GG3AYJ4ZA3
PubChem 69208
ChemSpider 62421.0