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Home > Other Heterocycles > 50682-96-7
50682-96-7 | Bicyclo[2.2.2]octanone, 3,3-dimethyl-
CAS No: 50682-96-7 Catalog No: AG006WFT MDL No:
Product Description
Catalog Number:
AG006WFT
Chemical Name:
Bicyclo[2.2.2]octanone, 3,3-dimethyl-
CAS Number:
50682-96-7
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
3,3-dimethylbicyclo[2.2.2]octan-2-one
InChI:
InChI=1S/C10H16O/c1-10(2)8-5-3-7(4-6-8)9(10)11/h7-8H,3-6H2,1-2H3
InChI Key:
WQCZOWCFNNRSMD-UHFFFAOYSA-N
SMILES:
O=C1C2CCC(C1(C)C)CC2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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