2,4-Dimethoxybenzoic acid

C₉H₁₀O₄CAS 91-52-1182.17 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₉H₁₀O₄
Molar mass: 182.17 g/mol
Exact mass: 182.0579 Da
Melting point: 109 °C
logP: 1.40Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

91-52-1

SMILES

COc1ccc(C(=O)O)c(OC)c1

InChIKey

GPVDHNVGGIAOQT-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2,4-dimethoxy-
NSC 6316

Work with 2,4-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

2,5-Dimethoxybenzoic acid2785-98-076 % similar 4-Methoxyphthalic acid1885-13-875 % similar 4-Methoxysalicylic acid2237-36-771 % similar 4-Amino-2-methoxybenzoic acid2486-80-867 % similar 4-Fluoro-2-methoxybenzoic acid395-82-467 % similar 4-Chloro-2-methoxybenzoic acid57479-70-667 % similar 5-Methoxysalicylic acid2612-02-464 % similar 2,4,5-Trimethoxybenzoic acid490-64-264 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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