Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U3PLH5C23A
EPA CompTox DTXSID30184524

Structure

InChI Key VEYNISLTHXQSGU-UHFFFAOYSA-N
Smiles CCOC(=O)CC(=O)c1cc(OC)c(OC)c(OC)c1
InChI
InChI=1S/C14H18O6/c1-5-20-13(16)8-10(15)9-6-11(17-2)14(19-4)12(7-9)18-3/h6-7H,5,8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H18O6
Molecular Weight 282.11
AlogP 1.85
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 7.0
Polar Surface Area 71.06
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 3044-56-2
NORMAN SUSDAT
FDA SRS U3PLH5C23A
PubChem 76443
ChemSpider 68915.0