chempirical

Guacetisal

C16H14O5CAS 55482-89-8286.28 g/mol

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EsterEther

Properties

Molecular formula
C16H14O5
Molar mass
286.28 g/mol
Exact mass
286.0841 Da
Melting point
71–73 °C
logP
2.84Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
55482-89-8
SMILES
COc1ccccc1OC(=O)c1ccccc1OC(C)=O
InChIKey
HSJFYRYGGKLQBT-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O5/c1-11(17)20-13-8-4-3-7-12(13)16(18)21-15-10-6-5-9-14(15)19-2/h3-10H,1-2H3

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

Names and synonyms

7 names
  • Benzoic acid, 2-(acetyloxy)-, 2-methoxyphenyl ester
  • Acetylsalicylic acid guaiacol ester
  • Broncaspin
  • Guacetisalum
  • 2-Methoxyphenyl O-acetylsalicylate
  • Guaiaspir
  • 2-Methoxyphenyl 2-acetoxybenzoate

Work with Guacetisal

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

Methyl 2-acetoxybenzoate580-02-970 % similar Acetylsalicylsalicylic acid530-75-668 % similar Guaiacol benzoate531-37-358 % similar Methyl 2-methoxybenzoate606-45-155 % similar Aspirin50-78-255 % similar Acetylsalicyloyl chloride5538-51-255 % similar Benorylate5003-48-554 % similar 2′-Methoxyacetophenone579-74-853 % similar

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

Same formula

Phenoxyacetic anhydride14316-61-1 (+)-Heraclenin2880-49-1 Sakuranetin2957-21-3 Brazilin474-07-7 Isosakuranetin480-43-3 Licochalcone B58749-23-8 p-Anisic anhydride794-94-5

Elsewhere

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