Home Carboxys 5-methylbicyclo[3.3.1]nonane-1-carboxylic acid

5-methylbicyclo[3.3.1]nonane-1-carboxylic acid

CAS No.:
91965-21-8
Catalog Number:
AG019WBD
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
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Product Description
Catalog Number:
AG019WBD
Chemical Name:
5-methylbicyclo[3.3.1]nonane-1-carboxylic acid
CAS Number:
91965-21-8
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
MDL Number:
MFCD00497987
IUPAC Name:
5-methylbicyclo[3.3.1]nonane-1-carboxylic acid
InChI:
InChI=1S/C11H18O2/c1-10-4-2-6-11(8-10,9(12)13)7-3-5-10/h2-8H2,1H3,(H,12,13)
InChI Key:
YIKIESMRPJSYAY-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCCC(C2)(CCC1)C
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties