chempirical

Methyl 3-hydroxy-4,5-dimethoxybenzoate

C10H12O5CAS 83011-43-2212.20 g/mol

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EsterEtherPhenol

Properties

Molecular formula
C10H12O5
Molar mass
212.20 g/mol
Exact mass
212.0685 Da
logP
1.20Crippen estimate
Polar surface area
65.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
83011-43-2
SMILES
COC1=CC(=CC(=C1OC)O)C(=O)OC
InChIKey
LCIFXEQPXQVBGL-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O5/c1-13-8-5-6(10(12)15-3)4-7(11)9(8)14-2/h4-5,11H,1-3H3

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Names and synonyms

1 names
  • Methyl 4,5-dimethoxy-3-hydroxybenzoate

Work with Methyl 3-hydroxy-4,5-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

Methyl 3,4,5-trimethoxybenzoate1916-07-076 % similar 3-Hydroxy-4,5-dimethoxybenzoic acid1916-08-166 % similar Methyl vanillate3943-74-666 % similar Methyl 3-hydroxy-4-methoxybenzoate6702-50-766 % similar Methyl gallate99-24-161 % similar Methyl 3,4-dihydroxybenzoate2150-43-857 % similar Methyl 3,4-dimethoxybenzoate2150-38-155 % similar Methyl 4-amino-3-hydroxybenzoate63435-16-554 % similar

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

Same formula

Eudesmic acid118-41-2 Propyl gallate121-79-9 3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-2 2,4,5-Trimethoxybenzoic acid490-64-2 Diethyl 2,5-furandicarboxylate53662-83-2 2,4,6-Trimethoxybenzoic acid570-02-5 2,3,4-Trimethoxybenzoic acid573-11-5 Methyl syringate884-35-5

Elsewhere

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