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4-Methoxyoctahydro-1(2H)-naphthalenone,1(2H)-Naphthalenone, octahydro-

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摘 要:4-Methoxyoctahydro-1(2H)-naphthalenone,1(2H)-Naphthalenone, octahydro-4-methoxy-, trans-, 4-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one,Canonical SMILES: COC1CCC(=O)C2C1CCCC2,InChI: InChI=1/C11H18O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h8-
[Synonyms]
4-Methoxyoctahydro-1(2H)-naphthalenone
1(2H)-Naphthalenone, octahydro-4-methoxy-, trans-

[Structure]
4-Methoxyoctahydro-1(2H)-naphthalenone,1(2H)-Naphthalenone, octahydro-

[ Properties Computed from Structure]
Molecular Weight182.25942 [g/mol]
Molecular FormulaC11H18O2
XLogP1.6
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count1
Tautomer Count3
Exact Mass182.13068
MonoIsotopic Mass182.13068
Topological Polar Surface Area26.3
Heavy Atom Count13
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count3
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
Canonical SMILES: COC1CCC(=O)C2C1CCCC2
InChI: InChI=1/C11H18O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h8-9,11H,2-7H2,1H3

 
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