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88057-80-1 | Cyclohexanone, 2-butyl-3-methyl-6-(phenylsulfinyl)-
CAS No: 88057-80-1 Catalog No: AG004IHD MDL No:
Product Description
Catalog Number:
AG004IHD
Chemical Name:
Cyclohexanone, 2-butyl-3-methyl-6-(phenylsulfinyl)-
CAS Number:
88057-80-1
Molecular Formula:
C17H24O2S
Molecular Weight:
292.4363
IUPAC Name:
6-(benzenesulfinyl)-2-butyl-3-methylcyclohexan-1-one
InChI:
InChI=1S/C17H24O2S/c1-3-4-10-15-13(2)11-12-16(17(15)18)20(19)14-8-6-5-7-9-14/h5-9,13,15-16H,3-4,10-12H2,1-2H3
InChI Key:
JCMGBLZFORWSBY-UHFFFAOYSA-N
SMILES:
CCCCC1C(C)CCC(C1=O)S(=O)c1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.15g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.437g/mol
Monoisotopic Mass:
292.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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