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123558-71-4 | 1-Propanone, 3-(4-methoxyphenyl)-2-(methylsulfonyl)-1-phenyl-
CAS No: 123558-71-4 Catalog No: AG000KST MDL No:
Product Description
Catalog Number:
AG000KST
Chemical Name:
1-Propanone, 3-(4-methoxyphenyl)-2-(methylsulfonyl)-1-phenyl-
CAS Number:
123558-71-4
Molecular Formula:
C17H18O4S
Molecular Weight:
318.3874
IUPAC Name:
3-(4-methoxyphenyl)-2-methylsulfonyl-1-phenylpropan-1-one
InChI:
InChI=1S/C17H18O4S/c1-21-15-10-8-13(9-11-15)12-16(22(2,19)20)17(18)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3
InChI Key:
BGOVQVIEPMLSKZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(S(=O)(=O)C)C(=O)c1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.387g/mol
Monoisotopic Mass:
318.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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