1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-6-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HTW3PM158Y
EPA CompTox DTXSID0068608

Structure

InChI Key FPOGGJAFMWYNLI-UHFFFAOYSA-N
Smiles Cc1ccc2C(=O)CCCc2c1
InChI
InChI=1S/C11H12O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5-7H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12O1
Molecular Weight 160.09
AlogP 2.51
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 51015-29-3
NORMAN SUSDAT
FDA SRS HTW3PM158Y
PubChem 162620
ChemSpider 142773.0
CONTENTS