chempirical

2,4-Dihydroxybenzoic acid

C7H6O4CAS 89-86-1154.12 g/mol

Open in Covalent MOL file
OHOOHHO
Carboxylic acidPhenol

Properties

Molecular formula
C7H6O4
Molar mass
154.12 g/mol
Exact mass
154.0266 Da
Melting point
226 °C (decomposes)
logP
0.80Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
89-86-1
SMILES
O=C(O)c1ccc(O)cc1O
InChIKey
UIAFKZKHHVMJGS-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)

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

Names and synonyms

9 names
  • Benzoic acid, 2,4-dihydroxy-
  • β-Resorcylic acid
  • 4-Hydroxysalicylic acid
  • p-Hydroxysalicylic acid
  • 4-Carboxyresorcinol
  • β-Resorcinolic acid
  • Coupler 320
  • NSC 13564
  • NSC 4740

Reactions

Work with 2,4-Dihydroxybenzoic acid

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

4-Hydroxyphthalic acid610-35-571 % similar 2,2′,4,4′-Tetrahydroxybenzophenone131-55-566 % similar 2,5-Dihydroxyterephthalic acid610-92-463 % similar 4-Fluoro-2-hydroxybenzoic acid345-29-963 % similar 4-Methylsalicylic acid50-85-163 % similar 4-Chlorosalicylic acid5106-98-963 % similar 2-Chloro-4-hydroxybenzoic acid56363-84-963 % similar 4-Hydroxy-2-methylbenzoic acid578-39-263 % similar

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

Same formula

3,4,5-Trihydroxybenzaldehyde13677-79-7 Patulin149-29-1 2,3,4-Trihydroxybenzaldehyde2144-08-3 2,6-Dihydroxybenzoic acid303-07-1 2,3-Dihydroxybenzoic acid303-38-8 2,4,5-Trihydroxybenzaldehyde35094-87-2 2,4,6-Trihydroxybenzaldehyde487-70-7 Gentisic acid490-79-9

Elsewhere

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