3,5-Dihydroxy-4-methylbenzoic acid

C₈H₈O₄CAS 28026-96-2168.15 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₈H₈O₄
Molar mass: 168.15 g/mol
Exact mass: 168.0423 Da
Melting point: 262 °C
logP: 1.10Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Identifiers

CAS number

28026-96-2

SMILES

Cc1c(O)cc(C(=O)O)cc1O

InChIKey

KMRRXSZDSGYLCD-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 3,5-dihydroxy-4-methyl-
α-Resorcylic acid, 4-methyl-
2-Methyl-5-carboxyresorcinol
3,5-Dihydroxy-p-toluic acid
4-Methyl-3,5-dihydroxybenzoic acid

Work with 3,5-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

Gallic acid149-91-764 % similar 4-Bromo-3,5-dihydroxybenzoic acid16534-12-660 % similar 3-Hydroxy-4-methylbenzoic acid586-30-159 % similar 3,4,5-Trihydroxybenzoic acid hydrate (1:1)5995-86-858 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-458 % similar Trimesic acid554-95-056 % similar 3,5-Dimethylbenzoic acid499-06-955 % similar Uvitic acid499-49-055 % 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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