chempirical

2,6-Dihydroxy-4-methylbenzoic acid

C8H8O4CAS 480-67-1168.15 g/mol

Open in Covalent MOL file
OHOOHOH
Carboxylic acidPhenol

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
Melting point
166–168 °C (decomposes)
logP
1.10Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
480-67-1
SMILES
Cc1cc(O)c(C(=O)O)c(O)c1
InChIKey
YBZAVRDNSPUMFK-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c1-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,9-10H,1H3,(H,11,12)

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

Names and synonyms

5 names
  • Benzoic acid, 2,6-dihydroxy-4-methyl-
  • γ-Resorcylic acid, 4-methyl-
  • 4-Methyl-γ-resorcylic acid
  • p-Orsellinic acid
  • 2,6-Dihydroxy-4-methylbenzoate

Work with 2,6-Dihydroxy-4-methylbenzoic 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

Phloroglucinol carboxylic acid83-30-764 % similar 4-Methylsalicylic acid50-85-159 % similar 2,6-Dihydroxybenzoic acid303-07-155 % similar 3,5-Dimethylbenzoic acid499-06-955 % similar Uvitic acid499-49-055 % similar 5-Methylsalicylic acid89-56-555 % similar 3,5-Dihydroxy-4-methylbenzoic acid28026-96-250 % similar Emodin518-82-149 % similar

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

Same formula

3,4-Dihydroxyphenylacetic acid102-32-9 5-(Acetoxymethyl)-2-furaldehyde10551-58-3 4-Hydroxymandelic acid1198-84-1 Vanillic acid121-34-6 (4-Hydroxyphenoxy)acetic acid1878-84-8 Methyl 3,4-dihydroxybenzoate2150-43-8 3,5-Dihydroxybenzoic acid methyl ester2150-44-9 Methyl 2,6-dihydroxybenzoate2150-45-0

Elsewhere

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