chempirical

1,2,4-Triacetoxybenzene

C12H12O6CAS 613-03-6252.22 g/mol

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Ester

Properties

Molecular formula
C12H12O6
Molar mass
252.22 g/mol
Exact mass
252.0634 Da
Melting point
99 °C
Boiling point
300 °C
logP
1.46Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Identifiers

CAS number
613-03-6
SMILES
CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1
InChIKey
AESFGSJWSUZRGW-UHFFFAOYSA-N
InChI
InChI=1S/C12H12O6/c1-7(13)16-10-4-5-11(17-8(2)14)12(6-10)18-9(3)15/h4-6H,1-3H3

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

Names and synonyms

10 names
  • 1,2,4-Benzenetriol, 1,2,4-triacetate
  • 1,2,4-Benzenetriol, triacetate
  • 2-Hydroxyhydroquinone triacetate
  • Hydroxyhydroquinone triacetate
  • Pyrogallol A
  • 1,2,4-Tris(acetoxy)benzene
  • NSC 2149
  • 2,5-Bis(acetyloxy)phenyl acetate
  • 2,4-Bis(acetyloxy)phenyl acetate
  • (3,4-Diacetyloxyphenyl) acetate

Reactions

Work with 1,2,4-Triacetoxybenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dihydroxybenzene diacetate108-58-762 % similar 2-Naphthyl acetate1523-11-158 % similar 4-Methylphenyl acetate140-39-655 % similar Phenyl acetate122-79-253 % similar p-Aminophenyl acetate13871-68-653 % similar 4-Fluorophenyl acetate405-51-653 % similar 3-Methylphenyl acetate122-46-353 % similar 3-Fluorophenyl acetate701-83-753 % similar

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

Same formula

Trimethyl trimellitate2459-10-1 Trimethyl 1,3,5-benzenetricarboxylate2672-58-4 Acetpyrogall525-52-0

Elsewhere

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