Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20203910

Structure

InChI Key XSWDPIQGBIWAPT-UHFFFAOYSA-N
Smiles O=C(OC)C=1OC=2C=C(OC)C=CC2C1
InChI
InChI=1/C11H10O4/c1-13-8-4-3-7-5-10(11(12)14-2)15-9(7)6-8/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10O4
Molecular Weight 206.06
AlogP 2.23
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 48.67
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 55364-67-5
NORMAN SUSDAT
PubChem 3016964