4-Acetoxy-3,5-dimethoxybenzaldehyde

C11H12O5CAS 53669-33-3224.21 g/mol

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AldehydeEsterEther

Properties

Molecular formula
C11H12O5
Molar mass
224.21 g/mol
Exact mass
224.0685 Da
Melting point
114 °C
logP
1.44Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
53669-33-3
SMILES
COc1cc(C=O)cc(OC)c1OC(C)=O
InChIKey
CSWKYHGBYCNZAS-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O5/c1-7(13)16-11-9(14-2)4-8(6-12)5-10(11)15-3/h4-6H,1-3H3

Weigh it out

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Names and synonyms

6 names
  • Benzaldehyde, 4-(acetyloxy)-3,5-dimethoxy-
  • 4-(Acetyloxy)-3,5-dimethoxybenzaldehyde
  • Syringaldehyde acetate
  • 4-Formyl-2,6-dimethoxyphenol acetate
  • Acetic acid 4-formyl-2,6-dimethoxyphenyl ester
  • 4-Formyl-2,6-dimethoxyphenyl acetate

Work with 4-Acetoxy-3,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acetovanillin881-68-568 % similar 3,4,5-Trimethoxybenzaldehyde86-81-764 % similar 3,4-Dimethoxy-5-hydroxybenzaldehyde29865-90-554 % similar 3-Iodo-4,5-dimethoxybenzaldehyde32024-15-054 % similar Myristicinaldehyde5780-07-454 % similar 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-754 % similar Syringaldehyde134-96-351 % similar 4-Bromo-3,5-dimethoxybenzaldehyde31558-40-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sinapinic acid530-59-6

Elsewhere

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