Home Sulfos Ethanone, 2-hydroxy-1-[4-(methylsulfonyl)phenyl]-

Ethanone, 2-hydroxy-1-[4-(methylsulfonyl)phenyl]-

CAS No.:
197240-27-0
Catalog Number:
AG002AO3
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
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Product Description
Catalog Number:
AG002AO3
Chemical Name:
Ethanone, 2-hydroxy-1-[4-(methylsulfonyl)phenyl]-
CAS Number:
197240-27-0
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD06200929
IUPAC Name:
2-hydroxy-1-(4-methylsulfonylphenyl)ethanone
InChI:
InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3
InChI Key:
YYIVRXHJSZKUHR-UHFFFAOYSA-N
SMILES:
OCC(=O)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties