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113459-59-9 | Cyclopentanone, 3-methyl-2-(phenylsulfonyl)-
CAS No: 113459-59-9 Catalog No: AG0008OF MDL No:
Product Description
Catalog Number:
AG0008OF
Chemical Name:
Cyclopentanone, 3-methyl-2-(phenylsulfonyl)-
CAS Number:
113459-59-9
Molecular Formula:
C12H14O3S
Molecular Weight:
238.3028
IUPAC Name:
2-(benzenesulfonyl)-3-methylcyclopentan-1-one
InChI:
InChI=1S/C12H14O3S/c1-9-7-8-11(13)12(9)16(14,15)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChI Key:
KJVAEJQSYIWIMJ-UHFFFAOYSA-N
SMILES:
CC1CCC(=O)C1S(=O)(=O)c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.301g/mol
Monoisotopic Mass:
238.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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