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Home > Other Heterocycles > 51656-74-7
51656-74-7 | Bicyclo[2.2.2]octanone, 3-(1-methylethyl)-
CAS No: 51656-74-7 Catalog No: AG006UEI MDL No:
Product Description
Catalog Number:
AG006UEI
Chemical Name:
Bicyclo[2.2.2]octanone, 3-(1-methylethyl)-
CAS Number:
51656-74-7
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
3-propan-2-ylbicyclo[2.2.2]octan-2-one
InChI:
InChI=1S/C11H18O/c1-7(2)10-8-3-5-9(6-4-8)11(10)12/h7-10H,3-6H2,1-2H3
InChI Key:
JCIMXPHFZLCWHT-UHFFFAOYSA-N
SMILES:
CC(C1C2CCC(C1=O)CC2)C
Properties
Complexity:
187
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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