chempirical

2,3-Dimethoxybenzaldehyde

C9H10O3CAS 86-51-1166.18 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
88 °C
Boiling point
137 °C (at 12 Torr)
logP
1.52Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
86-51-1
SMILES
COc1cccc(C=O)c1OC
InChIKey
JIVGSHFYXPRRSZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3

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Names and synonyms

6 names
  • Benzaldehyde, 2,3-dimethoxy-
  • o-Veratraldehyde
  • 5,6-Dimethoxybenzaldehyde
  • NSC 403661
  • NSC 51953
  • NSC 6314

Work with 2,3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,4-Trimethoxybenzaldehyde2103-57-372 % similar 2-Ethoxy-3-methoxybenzaldehyde66799-97-171 % similar 2-Fluoro-3-methoxybenzaldehyde103438-88-664 % similar Ortho-vanillin148-53-864 % similar 3-Fluoro-2-methoxybenzaldehyde74266-68-564 % similar 2-Chloro-3,4-dimethoxybenzaldehyde5417-17-462 % similar 2,6-Dimethoxybenzaldehyde3392-97-060 % similar 1,2,3-Trimethoxybenzene634-36-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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