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84109-81-9 | Cyclohexanone, 2-acetyl-2-[3,3-bis(phenylsulfonyl)butyl]-
CAS No: 84109-81-9 Catalog No: AG004PM8 MDL No:
Product Description
Catalog Number:
AG004PM8
Chemical Name:
Cyclohexanone, 2-acetyl-2-[3,3-bis(phenylsulfonyl)butyl]-
CAS Number:
84109-81-9
Molecular Formula:
C24H28O6S2
Molecular Weight:
476.6055
IUPAC Name:
2-acetyl-2-[3,3-bis(benzenesulfonyl)butyl]cyclohexan-1-one
InChI:
InChI=1S/C24H28O6S2/c1-19(25)24(16-10-9-15-22(24)26)18-17-23(2,31(27,28)20-11-5-3-6-12-20)32(29,30)21-13-7-4-8-14-21/h3-8,11-14H,9-10,15-18H2,1-2H3
InChI Key:
DELZYNNROIPVEO-UHFFFAOYSA-N
SMILES:
CC(=O)C1(CCCCC1=O)CCC(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)C
NSC Number:
370654
Properties
Complexity:
849
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.133g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.602g/mol
Monoisotopic Mass:
476.133g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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