chempirical

2,4,6-Trimethoxybenzaldehyde

C10H12O4CAS 830-79-5196.20 g/mol

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AldehydeEther

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Melting point
120–121 °C
logP
1.52Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
830-79-5
SMILES
COc1cc(OC)c(C=O)c(OC)c1
InChIKey
CRBZVDLXAIFERF-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3

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Names and synonyms

1 names
  • Benzaldehyde, 2,4,6-trimethoxy-

Work with 2,4,6-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

4,6-Dimethoxysalicylaldehyde708-76-973 % similar 2,4-Dimethoxybenzaldehyde613-45-663 % similar 2,6-Dimethoxybenzaldehyde3392-97-061 % similar 2,5-Dimethoxybenzaldehyde93-02-760 % similar 3,5-Dimethoxybenzaldehyde7311-34-457 % similar 4-Anisaldehyde123-11-552 % similar 1,2,4-Trimethoxybenzene135-77-350 % similar 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-350 % 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 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

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