3-Methoxybenzaldehyde
Properties
- Molecular formula
- C8H8O2
- Molar mass
- 136.15 g/mol
- Exact mass
- 136.0524 Da
- Density
- 1.115 g/mL (at 22 °C)
- Melting point
- 187 °C
- Boiling point
- 231 °C
- logP
- 1.51Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation94% of notifiers
- H319 Causes serious eye irritation94% of notifiers
- H335 May cause respiratory irritation86.9% of notifiers
Aggregated from 84 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
591-31-1SMILES
COc1cccc(C=O)c1InChIKey
WMPDAIZRQDCGFH-UHFFFAOYSA-NInChI
InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzaldehyde, 3-methoxy-
- m-Anisaldehyde
- Benzaldehyde, m-methoxy-
- m-Methoxybenzaldehyde
- NSC 43794
- 3-Methoxyphenylcarboxaldehyde
Reactions
Work with 3-Methoxybenzaldehyde
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-(3-Methoxyphenyl)benzaldehyde126485-58-380 % similar
3-(4-Methoxyphenoxy)benzaldehyde62373-80-277 % similar
4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-767 % similar
3,5-Dimethoxybenzaldehyde7311-34-464 % similar
6-Methoxy-2-naphthaldehyde3453-33-663 % similar
3-Phenoxybenzaldehyde39515-51-061 % similar
3-Ethoxybenzaldehyde22924-15-861 % similar
1,3-Dimethoxybenzene151-10-058 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds