2,3,4-Trimethoxybenzaldehyde

C₁₀H₁₂O₄CAS 2103-57-3196.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂O₄
Molar mass: 196.20 g/mol
Exact mass: 196.0736 Da
Melting point: 30 °C
Boiling point: 170 °C (at 12 Torr)
logP: 1.52Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation58.3% of notifiers
H319 Causes serious eye irritation58.3% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 12 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

2103-57-3

SMILES

COc1ccc(C=O)c(OC)c1OC

InChIKey

UCTUXUGXIFRVGX-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3

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

Names and synonyms

1 names

Benzaldehyde, 2,3,4-trimethoxy-

Work with 2,3,4-Trimethoxybenzaldehyde

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

2,3-Dimethoxybenzaldehyde86-51-172 % similar 2-Hydroxy-3,4-dimethoxybenzaldehyde19283-70-671 % similar 2-Chloro-3,4-dimethoxybenzaldehyde5417-17-471 % similar 4-Methoxy-2,3-dimethylbenzaldehyde38998-17-361 % similar 6-Formyl-2,3-dimethoxybenzoic acid519-05-161 % similar 4-Methoxy-1-naphthaldehyde15971-29-659 % similar 2,5-Dimethoxybenzaldehyde93-02-758 % similar 2,4-Dimethoxybenzaldehyde613-45-656 % 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 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1 Methyl 2,4-dimethoxybenzoate2150-41-6

Elsewhere

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