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Home > Other Heterocycles > 144340-75-0
144340-75-0 | Bicyclo[2.2.2]octan-2-one, 1,3,3-trimethyl-
CAS No: 144340-75-0 Catalog No: AG001JCW MDL No:MFCD24696831
Product Description
Catalog Number:
AG001JCW
Chemical Name:
Bicyclo[2.2.2]octan-2-one, 1,3,3-trimethyl-
CAS Number:
144340-75-0
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
MDL Number:
MFCD24696831
IUPAC Name:
1,3,3-trimethylbicyclo[2.2.2]octan-2-one
InChI:
InChI=1S/C11H18O/c1-10(2)8-4-6-11(3,7-5-8)9(10)12/h8H,4-7H2,1-3H3
InChI Key:
SMWQXDIDJQZSOE-UHFFFAOYSA-N
SMILES:
O=C1C2(C)CCC(C1(C)C)CC2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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