chempirical

Methyl 3,4-dimethoxybenzoate

C10H12O4CAS 2150-38-1196.20 g/mol

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Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Melting point
60.8 °C
Boiling point
283 °C
logP
1.49Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
2150-38-1
SMILES
COC(=O)c1ccc(OC)c(OC)c1
InChIKey
BIGQPYZPEWAPBG-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3

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Names and synonyms

5 names
  • Benzoic acid, 3,4-dimethoxy-, methyl ester
  • Veratric acid, methyl ester
  • Methyl veratrate
  • 3,4-Dimethoxybenzoic acid methyl ester
  • NSC 15668

Work with Methyl 3,4-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 3-amino-4-methoxybenzoate24812-90-673 % similar Methyl 3-methoxy-4-methylbenzoate3556-83-073 % similar Methyl 4-amino-3-methoxybenzoate41608-64-473 % similar Methyl 3-chloro-4-methoxybenzoate37908-98-871 % similar Methyl vanillate3943-74-671 % similar Methyl 3,4,5-trimethoxybenzoate1916-07-066 % similar Methyl 4-(bromomethyl)-3-methoxybenzoate70264-94-765 % similar Methyl syringate884-35-562 % 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 2,4-dimethoxybenzoate2150-41-6

Elsewhere

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