Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B77NA7SM29
EPA CompTox DTXSID30195332

Structure

InChI Key KMGCKSAIIHOKCX-UHFFFAOYSA-N
Smiles OC1Cc2c(C1)cccc2
InChI
InChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10O1
Molecular Weight 134.07
AlogP 1.15
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4254-29-9
NORMAN SUSDAT
FDA SRS B77NA7SM29
PubChem 77936
ChemSpider 11488.0