Home Sulfos 2-(methanesulfonylmethyl)phenol

2-(methanesulfonylmethyl)phenol

CAS No.:
53380-29-3
Catalog Number:
AG00I9J9
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
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Product Description
Catalog Number:
AG00I9J9
Chemical Name:
2-(methanesulfonylmethyl)phenol
CAS Number:
53380-29-3
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD24721304
IUPAC Name:
2-(methylsulfonylmethyl)phenol
InChI:
InChI=1S/C8H10O3S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3
InChI Key:
DMOAJIIEJSFMMM-UHFFFAOYSA-N
SMILES:
Oc1ccccc1CS(=O)(=O)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties