3-(4-methylsulfonylphenyl)phenol


Chemical Name: 3-(4-methylsulfonylphenyl)phenol
CAS Number: 893737-42-3
Product Number: AG00IFOU(AGN-PC-02MGCZ)
Synonyms:
MDL No:
Molecular Formula: C13H12O3S
Molecular Weight: 248.2976

Identification/Properties


Computed Properties
Molecular Weight:
248.296g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
248.051g/mol
Monoisotopic Mass:
248.051g/mol
Topological Polar Surface Area:
62.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
336
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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