2,6-Dimethoxybenzaldehyde
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 98–99 °C
- Boiling point
- 285 °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
3392-97-0SMILES
COc1cccc(OC)c1C=OInChIKey
WXSGQHKHUYTJNB-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-11-8-4-3-5-9(12-2)7(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, 2,6-dimethoxy-
- NSC 72362
Work with 2,6-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-Hydroxy-6-methoxybenzaldehyde700-44-775 % similar
2-Fluoro-6-methoxybenzaldehyde146137-74-872 % similar
2-Methoxybenzaldehyde135-02-461 % similar
2,4,6-Trimethoxybenzaldehyde830-79-561 % similar
2,3-Dimethoxybenzaldehyde86-51-160 % similar
2-Methoxy-1-naphthaldehyde5392-12-159 % similar
2-Chloro-3-methoxybenzaldehyde54881-49-158 % similar
4-Hydroxy-2,6-dimethoxybenzaldehyde22080-96-257 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.