2,6-Dimethoxybenzoic acid

C₉H₁₀O₄CAS 1466-76-8182.17 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: 186 °C (decomposes)
logP: 1.40Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

1466-76-8

SMILES

COc1cccc(OC)c1C(=O)O

InChIKey

MBIZFBDREVRUHY-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/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, 2,6-dimethoxy-
NSC 28591

Work with 2,6-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-Hydroxy-6-methoxybenzoic acid3147-64-677 % similar 2-Methoxy-6-methylbenzoic acid6161-65-577 % similar 2-Fluoro-6-methoxybenzoic acid137654-21-875 % similar 2,4,6-Trimethoxybenzoic acid570-02-565 % similar O-Anisic acid579-75-965 % similar 3-Methoxysalicylic acid877-22-562 % similar Bispyribac125401-75-461 % similar 2-Amino-3-methoxybenzoic acid3177-80-860 % 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 2,3-Dimethoxybenzoic acid1521-38-6 4-Methoxyphenoxyacetic acid1877-75-4

Elsewhere

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