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138529-91-6 | 1-Propanone, 1-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyl]-
CAS No: 138529-91-6 Catalog No: AG0019E7 MDL No:
Product Description
Catalog Number:
AG0019E7
Chemical Name:
1-Propanone, 1-cyclohexyl-2-methyl-2-[(4-methylphenyl)sulfonyl]-
CAS Number:
138529-91-6
Molecular Formula:
C17H24O3S
Molecular Weight:
308.4357
IUPAC Name:
1-cyclohexyl-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
InChI:
InChI=1S/C17H24O3S/c1-13-9-11-15(12-10-13)21(19,20)17(2,3)16(18)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3
InChI Key:
DDPLKUDCQKROTF-UHFFFAOYSA-N
SMILES:
O=C(C(S(=O)(=O)c1ccc(cc1)C)(C)C)C1CCCCC1
Properties
Complexity:
459
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:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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