4-Acetoxy-3,5-dimethoxybenzaldehyde

C₁₁H₁₂O₅CAS 53669-33-3224.21 g/mol

Open in Covalent MOL file

Aldehyde Ester Ether

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 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

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

Type any one amount. The others follow from the molar mass.

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-Iodo-4,5-dimethoxybenzaldehyde32024-15-054 % similar Myristicinaldehyde5780-07-454 % similar 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-754 % similar 4-Bromo-3,5-dimethoxybenzaldehyde31558-40-451 % similar Acetylisoeugenol93-29-851 % similar 4-(Acetyloxy)benzaldehyde878-00-250 % similar 3-(Acetyloxy)benzaldehyde34231-78-249 % similar

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

Same formula

Sinapinic acid530-59-6

Elsewhere

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