chempirical

Methyl 3,5-dimethoxybenzoate

C10H12O4CAS 2150-37-0196.20 g/mol

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Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Melting point
43 °C
logP
1.49Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
2150-37-0
SMILES
COC(=O)c1cc(OC)cc(OC)c1
InChIKey
YXUIOVUOFQKWDM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3

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

Names and synonyms

4 names
  • Benzoic acid, 3,5-dimethoxy-, methyl ester
  • 3,5-Dimethoxybenzoic acid methyl ester
  • NSC 65605
  • Methyl 3,5-bis(methyloxy)benzoate

Work with Methyl 3,5-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

Trimethyl 1,3,5-benzenetricarboxylate2672-58-468 % similar Methyl m-methoxybenzoate5368-81-068 % similar Methyl anisate121-98-266 % similar Methyl 3,4,5-trimethoxybenzoate1916-07-061 % similar Methyl syringate884-35-558 % similar 3′,5′-Dimethoxyacetophenone39151-19-457 % similar Methyl 3,5-dibromobenzoate51329-15-857 % similar Dimethyl 5-bromoisophthalate51760-21-557 % 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 3,4-dimethoxybenzoate2150-38-1 Methyl 2,4-dimethoxybenzoate2150-41-6

Elsewhere

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