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87456-64-2 | 1-Propanone, 2-[[(4-methylphenyl)sulfonyl]oxy]-1-phenyl-
CAS No: 87456-64-2 Catalog No: AG004KBO MDL No:
Product Description
Catalog Number:
AG004KBO
Chemical Name:
1-Propanone, 2-[[(4-methylphenyl)sulfonyl]oxy]-1-phenyl-
CAS Number:
87456-64-2
Molecular Formula:
C16H16O4S
Molecular Weight:
304.3608
IUPAC Name:
(1-oxo-1-phenylpropan-2-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H16O4S/c1-12-8-10-15(11-9-12)21(18,19)20-13(2)16(17)14-6-4-3-5-7-14/h3-11,13H,1-2H3
InChI Key:
AOXAGAXGWOAIHV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC(C(=O)c1ccccc1)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.36g/mol
Monoisotopic Mass:
304.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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