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101693-92-9 | Cyclohexanone, 5-methyl-2-(phenylsulfinyl)-
CAS No: 101693-92-9 Catalog No: AG00058A MDL No:
Product Description
Catalog Number:
AG00058A
Chemical Name:
Cyclohexanone, 5-methyl-2-(phenylsulfinyl)-
CAS Number:
101693-92-9
Molecular Formula:
C13H16O2S
Molecular Weight:
236.3299
IUPAC Name:
2-(benzenesulfinyl)-5-methylcyclohexan-1-one
InChI:
InChI=1S/C13H16O2S/c1-10-7-8-13(12(14)9-10)16(15)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChI Key:
IOEXQTWDEVPGTC-UHFFFAOYSA-N
SMILES:
CC1CCC(C(=O)C1)S(=O)c1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.329g/mol
Monoisotopic Mass:
236.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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