Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2CA7RAZ2PM
EPA CompTox DTXSID50197757

Structure

InChI Key HEBMCVBCEDMUOF-UHFFFAOYSA-N
Smiles C1Cc2c(CO1)cccc2
InChI
InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O1
Molecular Weight 134.07
AlogP 1.76
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 493-05-0
NORMAN SUSDAT
FDA SRS 2CA7RAZ2PM
PubChem 96266
ChemSpider 86899.0