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Home > Other Heterocycles > 91605-23-1
91605-23-1 | Bicyclo[2.2.1]heptan-2-one, 6,6-dimethyl-, (1R)-
CAS No: 91605-23-1 Catalog No: AG006FSQ MDL No:
Product Description
Catalog Number:
AG006FSQ
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 6,6-dimethyl-, (1R)-
CAS Number:
91605-23-1
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
6,6-dimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C9H14O/c1-9(2)5-6-3-7(9)8(10)4-6/h6-7H,3-5H2,1-2H3
InChI Key:
FKHXZEXCJTWMDL-UHFFFAOYSA-N
SMILES:
O=C1CC2C[C@@H]1C(C2)(C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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