chempirical

3,4-Diethoxybenzaldehyde

C11H14O3CAS 2029-94-9194.23 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Density
1.101 g/mL (at 21.5 °C)
Melting point
22 °C
Boiling point
279 °C
logP
2.30Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Identifiers

CAS number
2029-94-9
SMILES
CCOc1ccc(C=O)cc1OCC
InChIKey
SSTRYEXQYQGGAS-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • Benzaldehyde, 3,4-diethoxy-
  • NSC 6331

Work with 3,4-Diethoxybenzaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Ethoxy-4-methoxybenzaldehyde1131-52-881 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-281 % similar 1,4-Benzodioxan-6-carboxaldehyde29668-44-876 % similar Ethylvanillin121-32-471 % similar Piperonal120-57-070 % similar 4-Ethoxybenzaldehyde10031-82-059 % similar 3,4-Bis(benzyloxy)benzaldehyde5447-02-958 % similar 3-Ethoxybenzaldehyde22924-15-857 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3 Ethyl 3-methoxybenzeneacetate35553-92-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook