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Home > Other Heterocycles > 188940-80-9
188940-80-9 | Bicyclo[2.2.1]heptan-2-one, 5,6-dimethyl-, (1S,4S,5R,6R)-
CAS No: 188940-80-9 Catalog No: AG002HKF MDL No:
Product Description
Catalog Number:
AG002HKF
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 5,6-dimethyl-, (1S,4S,5R,6R)-
CAS Number:
188940-80-9
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
(1S,4S,5R,6R)-5,6-dimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C9H14O/c1-5-6(2)8-3-7(5)4-9(8)10/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m0/s1
InChI Key:
AGCCOKROZDYAMR-YWIQKCBGSA-N
SMILES:
O=C1C[C@@H]2C[C@H]1[C@@H]([C@@H]2C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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