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Home > Other Heterocycles > 38651-65-9
38651-65-9 | (1R,5S)-6,6-Dimethylbicyclo[3.1.1]heptan-2-one
CAS No: 38651-65-9 Catalog No: AG003BHO MDL No:MFCD08447116
Product Description
Catalog Number:
AG003BHO
Chemical Name:
(1R,5S)-6,6-Dimethylbicyclo[3.1.1]heptan-2-one
CAS Number:
38651-65-9
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD08447116
IUPAC Name:
(1R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-one
InChI:
InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChI Key:
XZFDKWMYCUEKSS-BQBZGAKWSA-N
SMILES:
O=C1CC[C@H]2C[C@@H]1C2(C)C
UNII:
G7O7RX0V01
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
1.6
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