Structure

InChI Key FTVWIRXFELQLPI-UHFFFAOYSA-N
Smiles Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1
InChI
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12O5
Molecular Weight 272.07
AlogP 2.51
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 86.99
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 67604-48-2
NORMAN SUSDAT
PubChem 932
ChemSpider 907.0