Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L56XQD1V6Y
EPA CompTox DTXSID4052554

Structure

InChI Key YTVNOVQHSGMMOV-UHFFFAOYSA-N
Smiles O=C1OC(=O)c2ccc3C(=O)OC(=O)c4ccc1c2c34
InChI
InChI=1S/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H4O6
Molecular Weight 268.0
AlogP 1.46
Hydrogen Bond Acceptor 6.0
Polar Surface Area 86.74
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 81-30-1
NORMAN SUSDAT
FDA SRS L56XQD1V6Y
PubChem 6678
ChemSpider 6426.0