Home Sulfos 1-[4-(cyclopentanesulfonyl)phenyl]ethan-1-one

1-[4-(cyclopentanesulfonyl)phenyl]ethan-1-one

CAS No.:
1049873-22-4
Catalog Number:
AG019MAB
Molecular Formula:
C13H16O3S
Molecular Weight:
252.3293
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Product Description
Catalog Number:
AG019MAB
Chemical Name:
1-[4-(cyclopentanesulfonyl)phenyl]ethan-1-one
CAS Number:
1049873-22-4
Molecular Formula:
C13H16O3S
Molecular Weight:
252.3293
MDL Number:
MFCD10686709
IUPAC Name:
1-(4-cyclopentylsulfonylphenyl)ethanone
InChI:
InChI=1S/C13H16O3S/c1-10(14)11-6-8-13(9-7-11)17(15,16)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChI Key:
PDRBLTYVTKBWDL-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)S(=O)(=O)C1CCCC1
Properties
Complexity:
366  
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:
3  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties