Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20879159

Structure

InChI Key ZITLVRQXJUFZOO-UHFFFAOYSA-N
Smiles O=C1C=C(O)C(C(O)=C1)(C)C
InChI
InChI=1/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3-4,10-11H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O3
Molecular Weight 154.06
AlogP 1.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 57.53
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2065-00-1
NORMAN SUSDAT