Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AR8H7U2FX5
EPA CompTox DTXSID70189210

Structure

InChI Key AUKZSCHMOAPNEN-VHSXEESVSA-N
Smiles OC1Cc2c(CC1O)c(O)ccc2
InChI
InChI=1S/C10H12O3/c11-8-3-1-2-6-4-9(12)10(13)5-7(6)8/h1-3,9-13H,4-5H2/t9-,10+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O3
Molecular Weight 180.08
AlogP 0.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 60.69
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 35697-16-6
NORMAN SUSDAT
FDA SRS AR8H7U2FX5
PubChem 12445741
ChemSpider 517732.0