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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
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
4-Methoxy-2-methylbenzaldehyde52289-54-071 % similar
3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-dicarbaldehyde27343-98-270 % similar
2-Trifluoromethoxy-4-methoxybenzaldehyde886503-52-269 % similar
2-Hydroxy-4-methoxybenzaldehyde673-22-366 % similar
2,5-Dimethoxyterephthalaldehyde7310-97-664 % similar
4-Hydroxy-2-methoxybenzaldehyde18278-34-764 % similar
2-Fluoro-4-methoxybenzaldehyde331-64-664 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.