3-Ethoxy-4-methoxybenzoic acid

C₁₀H₁₂O₄CAS 2651-55-0196.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₄
Molar mass: 196.20 g/mol
Exact mass: 196.0736 Da
logP: 1.79Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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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