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Endo-bicyclo[3.3.1]nonan-3-carboxylic acid bicyclo[3.3.1]nonane-7-carb

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摘 要:Endo-bicyclo[3.3.1]nonan-3-carboxylic acid bicyclo[3.3.1]nonane-7-carboxylic acid,Canonical SMILES: C1CC2CC(C1)CC(C2)C(=O)O,InChI: InChI=1/C10H16O2/c11-10(12)9-5-7-2-1-3-8(4-7)6-9/h7-9H,1-6H2,(H,11,,12)/f/h11H,Molecular Weight168.23284 [g/mol]Molecul
[Synonyms]
Endo-bicyclo[3.3.1]nonan-3-carboxylic acid
[Structure]
Endo-bicyclo[3.3.1]nonan-3-carboxylic acid bicyclo[3.3.1]nonane-7-carb

[ Properties Computed from Structure]
Molecular Weight168.23284 [g/mol]
Molecular FormulaC10H16O2
XLogP3.1
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count1
Exact Mass168.11503
MonoIsotopic Mass168.11503
Topological Polar Surface Area37.3
Heavy Atom Count12
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: bicyclo[3.3.1]nonane-7-carboxylic acid
Canonical SMILES: C1CC2CC(C1)CC(C2)C(=O)O
InChI: InChI=1/C10H16O2/c11-10(12)9-5-7-2-1-3-8(4-7)6-9/h7-9H,1-6H2,(H,11,
12)/f/h11H

 
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