chempirical

3-Ethoxy-4-methoxybenzoic acid

C10H12O4CAS 2651-55-0196.20 g/mol

Open in Covalent MOL file
OOOHO
Carboxylic acidEther

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
logP
1.79Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

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
2651-55-0
SMILES
CCOC1=C(C=CC(=C1)C(=O)O)OC
InChIKey
DMSAIFTWQMXOBE-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6H,3H2,1-2H3,(H,11,12)

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Work with 3-Ethoxy-4-methoxybenzoic acid

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

3,4-Diethoxybenzoic acid5409-31-483 % similar Veratric acid93-07-274 % similar 3-Benzyloxy-4-methoxybenzoic acid58452-00-967 % similar 2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid4442-54-065 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-162 % similar 3,4,5-Triethoxybenzoic acid6970-19-062 % similar 1,3-Benzodioxole-5-carboxylic acid94-53-161 % similar Vanillic acid121-34-660 % 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'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-2 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0

Elsewhere

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