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89328-78-9 | Cyclohexanone, 4,4-dimethyl-2-[3-(phenylsulfonyl)propyl]-
CAS No: 89328-78-9 Catalog No: AG003YET MDL No:
Product Description
Catalog Number:
AG003YET
Chemical Name:
Cyclohexanone, 4,4-dimethyl-2-[3-(phenylsulfonyl)propyl]-
CAS Number:
89328-78-9
Molecular Formula:
C17H24O3S
Molecular Weight:
308.4357
IUPAC Name:
2-[3-(benzenesulfonyl)propyl]-4,4-dimethylcyclohexan-1-one
InChI:
InChI=1S/C17H24O3S/c1-17(2)11-10-16(18)14(13-17)7-6-12-21(19,20)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChI Key:
LFHGTFCNVWKJPK-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1CCCS(=O)(=O)c1ccccc1)(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.145g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.436g/mol
Monoisotopic Mass:
308.145g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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