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115424-15-2 | 1-Propanone, 1-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 115424-15-2 Catalog No: AG000FYS MDL No:
Product Description
Catalog Number:
AG000FYS
Chemical Name:
1-Propanone, 1-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
115424-15-2
Molecular Formula:
C17H18O4S
Molecular Weight:
318.3874
IUPAC Name:
[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H18O4S/c1-12-4-8-15(9-5-12)17(18)14(3)21-22(19,20)16-10-6-13(2)7-11-16/h4-11,14H,1-3H3
InChI Key:
LLUYFKHNGZHVBH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C(OS(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
463
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:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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