Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QCN54UB6V4
EPA CompTox DTXSID90194785

Structure

InChI Key SENMPMXZMGNQAG-UHFFFAOYSA-N
Smiles O=C1OCCOC(=O)c2ccccc12
InChI
InChI=1S/C10H8O4/c11-9-7-3-1-2-4-8(7)10(12)14-6-5-13-9/h1-4H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8O4
Molecular Weight 192.04
AlogP 1.01
Hydrogen Bond Acceptor 4.0
Polar Surface Area 52.6
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 4196-98-9
NORMAN SUSDAT
FDA SRS QCN54UB6V4
PubChem 77861
ChemSpider 70253.0