1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-7-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M6W8PW7VP8
EPA CompTox DTXSID0066747

Structure

InChI Key GGMYZZBVIWUXEC-UHFFFAOYSA-N
Smiles Cc1ccc2CCCC(=O)c2c1
InChI
InChI=1S/C11H12O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/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 22009-37-6
NORMAN SUSDAT
FDA SRS M6W8PW7VP8
PubChem 89147
ChemSpider 80443.0
CONTENTS