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Home > Other Heterocycles > 20536-81-6
20536-81-6 | Bicyclo[2.2.1]heptan-2-one, 1,4,7,7-tetramethyl-, (1S)- (9CI)
CAS No: 20536-81-6 Catalog No: AG002A17 MDL No:
Product Description
Catalog Number:
AG002A17
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1,4,7,7-tetramethyl-, (1S)- (9CI)
CAS Number:
20536-81-6
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
(1S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C11H18O/c1-9(2)10(3)5-6-11(9,4)8(12)7-10/h5-7H2,1-4H3/t10?,11-/m1/s1
InChI Key:
WHTUSNIUKHUYQX-RRKGBCIJSA-N
SMILES:
O=C1CC2(C([C@]1(C)CC2)(C)C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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