chempirical

Diformylcresol

C9H8O3CAS 7310-95-4164.16 g/mol

Open in Covalent MOL file
OOHO
AldehydePhenol

Properties

Molecular formula
C9H8O3
Molar mass
164.16 g/mol
Exact mass
164.0473 Da
Melting point
113 °C
logP
1.33Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
7310-95-4
SMILES
Cc1cc(C=O)c(O)c(C=O)c1
InChIKey
ZBOUXALQDLLARY-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • 1,3-Benzenedicarboxaldehyde, 2-hydroxy-5-methyl-
  • Isophthalaldehyde, 2-hydroxy-5-methyl-
  • 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde
  • 5-Methyl-2-hydroxyisophthalaldehyde
  • 2,6-Diformyl-4-methylphenol
  • 3-Formyl-5-methylsalicylaldehyde
  • 2-Hydroxy-5-methylisophthalaldehyde
  • 2,6-Diformyl-p-cresol
  • 2-Hydroxy-5-methylbenzene-1,3-dicarbaldehyde
  • 4-Methyl-2,6-diformylphenol
  • 2-Hydroxy-5-methylisophthaldehyde
  • NSC 243727
  • 2-Hydroxy-5-methyl-1,3-benzenedicarboxyaldehyde
  • 2,6-Diformyl-4-cresol

Work with Diformylcresol

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

5-Methylsalicylaldehyde613-84-357 % similar 2-Hydroxy-4-methylbenzaldehyde698-27-153 % similar 5-Chloro-2-hydroxy-3-methylbenzaldehyde23602-63-352 % similar 2,5-Dimethylbenzaldehyde5779-94-250 % similar 2,6-Dinitro-P-cresol609-93-847 % similar 3-Methylsalicylaldehyde824-42-047 % similar 3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-347 % similar 3,5-Di-tert-butylsalicylaldehyde37942-07-746 % similar

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

Same formula

Carbic anhydride129-64-6 trans-3-Hydroxycinnamic acid14755-02-3 Methyl phenylglyoxylate15206-55-0 Phenylpyruvic acid156-06-9 Methyl 4-formylbenzoate1571-08-0 2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-9 Himic anhydride2746-19-2 1,4-Benzodioxan-6-carboxaldehyde29668-44-8

Elsewhere

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