chempirical

3-(Acetyloxy)benzaldehyde

C9H8O3CAS 34231-78-2164.16 g/mol

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AldehydeEster

Properties

Molecular formula
C9H8O3
Molar mass
164.16 g/mol
Exact mass
164.0473 Da
Melting point
198 °C
Boiling point
140 °C (at 16 Torr)
logP
1.42Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
34231-78-2
SMILES
CC(=O)Oc1cccc(C=O)c1
InChIKey
GVUMZPWBUAGJBP-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-6H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzaldehyde, 3-(acetyloxy)-
  • Benzaldehyde, m-hydroxy-, acetate
  • 3-Acetoxybenzaldehyde
  • m-Acetoxybenzaldehyde
  • m-Hydroxybenzaldehyde acetate
  • 3-Formylphenyl acetate

Work with 3-(Acetyloxy)benzaldehyde

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

1,3-Dihydroxybenzene diacetate108-58-768 % similar 4-(Acetyloxy)benzaldehyde878-00-265 % similar 3-Methylphenyl acetate122-46-358 % similar 3-Fluorophenyl acetate701-83-758 % similar Acetylresorcinol102-29-457 % similar 1-[3-(Acetyloxy)phenyl]ethanone2454-35-555 % similar Phenyl acetate122-79-255 % similar Acetovanillin881-68-554 % similar

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

Same formula

Carbic anhydride129-64-6 trans-3-Hydroxycinnamic acid14755-02-3 Methyl phenylglyoxylate15206-55-0 Phenylpyruvic acid156-06-9 Methyl 4-formylbenzoate1571-08-0 2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-9 Himic anhydride2746-19-2 1,4-Benzodioxan-6-carboxaldehyde29668-44-8

Elsewhere

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