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Home > Other Heterocycles > 89730-07-4
89730-07-4 | Bicyclo[2.2.1]heptan-2-one, 3-(methylsulfonyl)-
CAS No: 89730-07-4 Catalog No: AG0041XY MDL No:
Product Description
Catalog Number:
AG0041XY
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 3-(methylsulfonyl)-
CAS Number:
89730-07-4
Molecular Formula:
C8H12O3S
Molecular Weight:
188.2441
IUPAC Name:
3-methylsulfonylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C8H12O3S/c1-12(10,11)8-6-3-2-5(4-6)7(8)9/h5-6,8H,2-4H2,1H3
InChI Key:
XESJUZWMMGZUGI-UHFFFAOYSA-N
SMILES:
O=C1C2CCC(C1S(=O)(=O)C)C2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.241g/mol
Monoisotopic Mass:
188.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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