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114088-63-0 | Phenol, 4-(methylsulfinyl)-, 1-methanesulfonate
CAS No: 114088-63-0 Catalog No: AG000AIO MDL No:
Product Description
Catalog Number:
AG000AIO
Chemical Name:
Phenol, 4-(methylsulfinyl)-, 1-methanesulfonate
CAS Number:
114088-63-0
Molecular Formula:
C8H10O4S2
Molecular Weight:
234.2926
IUPAC Name:
methanesulfonic acid;4-methylsulfinylphenol
InChI:
InChI=1S/C7H8O2S.CH4O3S/c1-10(9)7-4-2-6(8)3-5-7;1-5(2,3)4/h2-5,8H,1H3;1H3,(H,2,3,4)
InChI Key:
OXLSUGATTIFXTE-UHFFFAOYSA-N
SMILES:
CS(=O)c1ccc(cc1)OS(=O)(=O)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.299g/mol
Monoisotopic Mass:
252.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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