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88041-62-7 | Phenol, 4-methyl-2-(methylsulfonyl)-
CAS No: 88041-62-7 Catalog No: AG004G47 MDL No:
Product Description
Catalog Number:
AG004G47
Chemical Name:
Phenol, 4-methyl-2-(methylsulfonyl)-
CAS Number:
88041-62-7
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
IUPAC Name:
4-methyl-2-methylsulfonylphenol
InChI:
InChI=1S/C8H10O3S/c1-6-3-4-7(9)8(5-6)12(2,10)11/h3-5,9H,1-2H3
InChI Key:
SUSFABSCEYOTSG-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)C)O
Properties
Complexity:
240
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:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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