Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E325Q29EJM
EPA CompTox DTXSID40168618

Structure

InChI Key YFBZUWUJSCLVST-UHFFFAOYSA-N
Smiles CC1(C)OC(=O)c2c1cccc2
InChI
InChI=1S/C10H10O2/c1-10(2)8-6-4-3-5-7(8)9(11)12-10/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O2
Molecular Weight 162.07
AlogP 2.09
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1689-09-4
NORMAN SUSDAT
FDA SRS E325Q29EJM
PubChem 74317
ChemSpider 66915.0