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828256-29-7 | 1-Butanone, 2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-phenyl-
CAS No: 828256-29-7 Catalog No: AG004T39 MDL No:
Product Description
Catalog Number:
AG004T39
Chemical Name:
1-Butanone, 2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-phenyl-
CAS Number:
828256-29-7
Molecular Formula:
C18H20O4S
Molecular Weight:
332.4140
IUPAC Name:
2-benzoylbutyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C18H20O4S/c1-3-15(18(19)16-7-5-4-6-8-16)13-22-23(20,21)17-11-9-14(2)10-12-17/h4-12,15H,3,13H2,1-2H3
InChI Key:
BVRSDPYTLOWAKL-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccccc1)COS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.108g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.414g/mol
Monoisotopic Mass:
332.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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