chempirical

Policresulen

C8H10O5SCAS 101418-00-2218.22 g/mol

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OSOOOHOH
AldehydePhenolSulfonic acid

Properties

Molecular formula
C8H10O5S
Molar mass
218.22 g/mol
Exact mass
218.0249 Da
logP
0.76Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
101418-00-2
SMILES
C=O.Cc1ccc(S(=O)(=O)O)c(O)c1
InChIKey
VEJWJJHJBSJZGF-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O4S.CH2O/c1-5-2-3-7(6(8)4-5)12(9,10)11;1-2/h2-4,8H,1H3,(H,9,10,11);1H2

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Names and synonyms

2 names
  • Benzenesulfonic acid, 2-hydroxy-4-methyl-, polymer with formaldehyde
  • Formaldehyde, polymer with 2-hydroxy-4-methylbenzenesulfonic acid

Work with Policresulen

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dimethylbenzenesulfonic acid88-61-957 % similar 2,5-Dimethylbenzenesulfonic acid609-54-153 % similar P-Toluenesulfonic acid104-15-447 % similar P-Toluenesulfonic acid monohydrate6192-52-544 % similar 4-Methylcatechol452-86-843 % similar 2-Chloro-5-methylphenol615-74-742 % similar m-Xylene-formaldehyde resin26139-75-342 % similar 1-Naphthol-4-sulfonic acid84-87-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook