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89328-79-0 | Cyclohexanone, 2,2-dimethyl-6-[3-(phenylsulfonyl)propyl]-
CAS No: 89328-79-0 Catalog No: AG003ZKJ MDL No:
Product Description
Catalog Number:
AG003ZKJ
Chemical Name:
Cyclohexanone, 2,2-dimethyl-6-[3-(phenylsulfonyl)propyl]-
CAS Number:
89328-79-0
Molecular Formula:
C17H24O3S
Molecular Weight:
308.4357
IUPAC Name:
6-[3-(benzenesulfonyl)propyl]-2,2-dimethylcyclohexan-1-one
InChI:
InChI=1S/C17H24O3S/c1-17(2)12-6-8-14(16(17)18)9-7-13-21(19,20)15-10-4-3-5-11-15/h3-5,10-11,14H,6-9,12-13H2,1-2H3
InChI Key:
JRJFNUMXRKTQOV-UHFFFAOYSA-N
SMILES:
O=C1C(CCCS(=O)(=O)c2ccccc2)CCCC1(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.145g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.436g/mol
Monoisotopic Mass:
308.145g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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