chempirical

Methyl 2,6-dimethoxybenzoate

C10H12O4CAS 2065-27-2196.20 g/mol

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Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Melting point
88 °C
Boiling point
160–172 °C (at 14 Torr)
logP
1.49Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
2065-27-2
SMILES
COC(=O)c1c(OC)cccc1OC
InChIKey
XLXVNKPXOIYLLE-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-12-7-5-4-6-8(13-2)9(7)10(11)14-3/h4-6H,1-3H3

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Names and synonyms

2 names
  • Benzoic acid, 2,6-dimethoxy-, methyl ester
  • 2,6-Dimethoxybenzoic acid methyl ester

Work with Methyl 2,6-dimethoxybenzoate

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

Methyl 2-methoxybenzoate606-45-165 % similar Methyl 2-hydroxy-3-methoxybenzoate6342-70-760 % similar 1-(2,6-Dimethoxyphenyl)ethanone2040-04-258 % similar 2,6-Dimethoxybenzoic acid1466-76-856 % similar 2,6-Dimethoxybenzoyl chloride1989-53-356 % similar Methyl 2,6-dihydroxybenzoate2150-45-056 % similar Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-254 % similar Dimethyl isophthalate1459-93-452 % similar

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

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1 Methyl 2,4-dimethoxybenzoate2150-41-6

Elsewhere

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