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81447-34-9 | Cyclohexanone, 2-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 81447-34-9 Catalog No: AG0052C5 MDL No:
Product Description
Catalog Number:
AG0052C5
Chemical Name:
Cyclohexanone, 2-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
81447-34-9
Molecular Formula:
C13H16O4S
Molecular Weight:
268.3287
IUPAC Name:
(2-oxocyclohexyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H16O4S/c1-10-6-8-11(9-7-10)18(15,16)17-13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3
InChI Key:
XUNZKJYKGTULJU-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.327g/mol
Monoisotopic Mass:
268.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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