Home Carboxys 3,3-dimethylcyclohexane-1-carboxylic acid

3,3-dimethylcyclohexane-1-carboxylic acid

CAS No.:
52209-77-5
Catalog Number:
AG01A010
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01A010
Chemical Name:
3,3-dimethylcyclohexane-1-carboxylic acid
CAS Number:
52209-77-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD20328521
IUPAC Name:
3,3-dimethylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C9H16O2/c1-9(2)5-3-4-7(6-9)8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChI Key:
JVTKAQYLRKDVOL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCC(C1)(C)C
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties