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2018-80-6 | Bicyclo[3.3.1]nonane-9-carboxylic acid
CAS No: 2018-80-6 Catalog No: AG0027UM MDL No:
Product Description
Catalog Number:
AG0027UM
Chemical Name:
Bicyclo[3.3.1]nonane-9-carboxylic acid
CAS Number:
2018-80-6
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
bicyclo[3.3.1]nonane-9-carboxylic acid
InChI:
InChI=1S/C10H16O2/c11-10(12)9-7-3-1-4-8(9)6-2-5-7/h7-9H,1-6H2,(H,11,12)
InChI Key:
GXBABRWQKUHKLM-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2CCCC1CCC2
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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