2H-1-BENZOPYRAN-2-ONE, 3,4-DIHYDRO-6-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8FQ6538M2N
EPA CompTox DTXSID8059055

Structure

InChI Key TWAXWQHDMDUHDN-UHFFFAOYSA-N
Smiles Cc1ccc2OC(=O)CCc2c1
InChI
InChI=1S/C10H10O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2,4,6H,3,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O2
Molecular Weight 162.07
AlogP 1.85
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 92-47-7
NORMAN SUSDAT
FDA SRS 8FQ6538M2N
PubChem 66708
ChemSpider 60074.0
CONTENTS