Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40996054

Structure

InChI Key MFUZXFWVYOMQBM-UHFFFAOYSA-N
Smiles O=C(OC)C(C(=O)C)C(C(=O)OC)C(=O)C
InChI
InChI=1/C10H14O6/c1-5(11)7(9(13)15-3)8(6(2)12)10(14)16-4/h7-8H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O6
Molecular Weight 230.08
AlogP -0.26
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 86.74
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 74536-45-1
NORMAN SUSDAT
PubChem 3018521