2-Hydroxy-4,5-dimethoxybenzoic acid

C₉H₁₀O₅CAS 5722-93-0198.17 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Phenol

Properties

Molecular formula: C₉H₁₀O₅
Molar mass: 198.17 g/mol
Exact mass: 198.0528 Da
logP: 1.11Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5722-93-0

SMILES

COC1=C(C=C(C(=C1)C(=O)O)O)OC

InChIKey

RUBXSZYVSFYJQR-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O5/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4,10H,1-2H3,(H,11,12)

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Names and synonyms

1 names

2-Hydroxy-4,5-dimethoxy benzoic acid

Work with 2-Hydroxy-4,5-dimethoxybenzoic 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

2,4,5-Trimethoxybenzoic acid490-64-271 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-769 % similar 7-Hydroxy-1,4-benzodioxan-6-carboxylic acid197584-99-965 % similar 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-265 % similar 4-Methoxysalicylic acid2237-36-763 % similar 2-Bromo-4,5-dimethoxybenzoic acid6286-46-063 % similar 2,5-Dihydroxyterephthalic acid610-92-462 % similar 5-Methoxysalicylic acid2612-02-461 % similar

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

Same formula

3-Hydroxy-4,5-dimethoxybenzoic acid1916-08-1 Vanillylmandelic acid2394-20-9 (±)-3-Hydroxy-4-methoxymandelic acid3695-24-7 Syringic acid530-57-4 Vanillylmandelic acid55-10-7 Furfurylidene diacetate613-75-2 Salvianic acid A76822-21-4 Ethyl gallate831-61-8

Elsewhere

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