Home Carboxys 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid

3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid

CAS No.:
52557-98-9
Catalog Number:
AG00DV80
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
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Product Description
Catalog Number:
AG00DV80
Chemical Name:
3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
CAS Number:
52557-98-9
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD00505843
IUPAC Name:
3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
InChI:
InChI=1S/C10H16O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)
InChI Key:
KJKODDSNIDHCKV-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2CCC(C1(C)C)C2
NSC Number:
239115
Properties
Complexity:
220  
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:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties