2,4-Dimethoxybenzaldehyde
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 72 °C
- Boiling point
- 290 °C
- logP
- 1.52Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Identifiers
CAS number
613-45-6SMILES
COc1ccc(C=O)c(OC)c1InChIKey
LWRSYTXEQUUTKW-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzaldehyde, 2,4-dimethoxy-
- NSC 27023
Work with 2,4-Dimethoxybenzaldehyde
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
2,5-Dimethoxybenzaldehyde93-02-776 % similar
2-Hydroxy-4-methoxybenzaldehyde673-22-366 % similar
2-Fluoro-4-methoxybenzaldehyde331-64-664 % similar
4-Fluoro-2-methoxybenzaldehyde450-83-964 % similar
2-Hydroxy-5-methoxybenzaldehyde672-13-964 % similar
2,4,6-Trimethoxybenzaldehyde830-79-563 % similar
2,4,5-Trimethoxybenzaldehyde4460-86-060 % similar
2-Fluoro-5-methoxybenzaldehyde105728-90-359 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds