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89630-21-7 | Cyclopentanone, 2-methyl-2-[(4-methylphenyl)sulfonyl]-, (R)-
CAS No: 89630-21-7 Catalog No: AG003X8B MDL No:
Product Description
Catalog Number:
AG003X8B
Chemical Name:
Cyclopentanone, 2-methyl-2-[(4-methylphenyl)sulfonyl]-, (R)-
CAS Number:
89630-21-7
Molecular Formula:
C13H16O3S
Molecular Weight:
252.3293
IUPAC Name:
2-methyl-2-(4-methylphenyl)sulfonylcyclopentan-1-one
InChI:
InChI=1S/C13H16O3S/c1-10-5-7-11(8-6-10)17(15,16)13(2)9-3-4-12(13)14/h5-8H,3-4,9H2,1-2H3
InChI Key:
OBICKNBSPLBTSH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)[C@]1(C)CCCC1=O
Properties
Complexity:
399
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
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