chempirical

Methyl 2,4-dimethoxybenzoate

C10H12O4CAS 2150-41-6196.20 g/mol

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Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Boiling point
293–296 °C
logP
1.49Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
2150-41-6
SMILES
COC(=O)c1ccc(OC)cc1OC
InChIKey
IHIJFZWLGPEYPJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-12-7-4-5-8(10(11)14-3)9(6-7)13-2/h4-6H,1-3H3

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Names and synonyms

3 names
  • Benzoic acid, 2,4-dimethoxy-, methyl ester
  • 2,4-Dimethoxybenzoic acid methyl ester
  • NSC 49277

Work with Methyl 2,4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-bromo-2-methoxybenzoate139102-34-467 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-667 % similar Methyl 4-amino-2-methoxybenzoate27492-84-867 % similar Methyl 4-methoxysalicylate5446-02-667 % similar 2′,4′-Dimethoxyacetophenone829-20-963 % similar Methyl 2-bromo-5-methoxybenzoate35450-36-362 % similar Methyl 2-methoxybenzoate606-45-162 % similar 2,4-Dimethoxybenzoic acid91-52-161 % 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 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

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