2,5-Dimethoxybenzaldehyde
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 52 °C
- Boiling point
- 270 °C
- logP
- 1.52Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Identifiers
CAS number
93-02-7SMILES
COc1ccc(OC)c(C=O)c1InChIKey
AFUKNJHPZAVHGQ-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzaldehyde, 2,5-dimethoxy-
- NSC 6315
Work with 2,5-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
2,4-Dimethoxybenzaldehyde613-45-676 % similar
5-Bromo-2-methoxybenzaldehyde25016-01-768 % similar
2-Methoxy-5-(trifluoromethoxy)benzaldehyde145742-65-068 % similar
2-Fluoro-5-methoxybenzaldehyde105728-90-366 % similar
5-Fluoro-2-methoxybenzaldehyde19415-51-166 % similar
2-Hydroxy-5-methoxybenzaldehyde672-13-966 % similar
5-Chloro-2-methoxybenzaldehyde7035-09-866 % similar
2-Hydroxy-4-methoxybenzaldehyde673-22-363 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds