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123405-97-0 | Bicyclo[3.3.1]nonane-3-carboxylic acid, 9-oxo-, methyl ester
CAS No: 123405-97-0 Catalog No: AG000KJ6 MDL No:
Product Description
Catalog Number:
AG000KJ6
Chemical Name:
Bicyclo[3.3.1]nonane-3-carboxylic acid, 9-oxo-, methyl ester
CAS Number:
123405-97-0
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate
InChI:
InChI=1S/C11H16O3/c1-14-11(13)9-5-7-3-2-4-8(6-9)10(7)12/h7-9H,2-6H2,1H3
InChI Key:
LPOQWKGXUZCSIW-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC2CCCC(C1)C2=O
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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