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113459-61-3 | Cyclopentanone, 4,4-dimethyl-2-(phenylsulfonyl)-
CAS No: 113459-61-3 Catalog No: AG0008OE MDL No:
Product Description
Catalog Number:
AG0008OE
Chemical Name:
Cyclopentanone, 4,4-dimethyl-2-(phenylsulfonyl)-
CAS Number:
113459-61-3
Molecular Formula:
C13H16O3S
Molecular Weight:
252.3293
IUPAC Name:
2-(benzenesulfonyl)-4,4-dimethylcyclopentan-1-one
InChI:
InChI=1S/C13H16O3S/c1-13(2)8-11(14)12(9-13)17(15,16)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChI Key:
RJJXCYCDRRUEMG-UHFFFAOYSA-N
SMILES:
O=C1CC(CC1S(=O)(=O)c1ccccc1)(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.328g/mol
Monoisotopic Mass:
252.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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