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146040-84-8 | Cycloheptanone, 2-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 146040-84-8 Catalog No: AG001DN8 MDL No:
Product Description
Catalog Number:
AG001DN8
Chemical Name:
Cycloheptanone, 2-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
146040-84-8
Molecular Formula:
C14H18O4S
Molecular Weight:
282.3553
IUPAC Name:
(2-oxocycloheptyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C14H18O4S/c1-11-7-9-12(10-8-11)19(16,17)18-14-6-4-2-3-5-13(14)15/h7-10,14H,2-6H2,1H3
InChI Key:
WVZOAZUIYHADSM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC1CCCCCC1=O
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.354g/mol
Monoisotopic Mass:
282.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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