chempirical

Acetpyrogall

C12H12O6CAS 525-52-0252.22 g/mol

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Ester

Properties

Molecular formula
C12H12O6
Molar mass
252.22 g/mol
Exact mass
252.0634 Da
Melting point
165 °C
logP
1.46Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Identifiers

CAS number
525-52-0
SMILES
CC(=O)Oc1cccc(OC(C)=O)c1OC(C)=O
InChIKey
AQGLTPNHAAVOKN-UHFFFAOYSA-N
InChI
InChI=1S/C12H12O6/c1-7(13)16-10-5-4-6-11(17-8(2)14)12(10)18-9(3)15/h4-6H,1-3H3

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Names and synonyms

8 names
  • 1,2,3-Benzenetriol, 1,2,3-triacetate
  • Pyrogallol, triacetate
  • 1,2,3-Benzenetriol, triacetate
  • Lenigallol
  • Pyracetol
  • Triacetylpyrogallol
  • 1,2,3-Triacetoxybenzene
  • NSC 24068

Work with Acetpyrogall

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

2-Chlorophenyl acetate4525-75-163 % similar 1-Naphthyl acetate830-81-961 % similar 2-Methylphenyl acetate533-18-660 % similar 2-(Acetyloxy)benzonitrile5715-02-659 % similar 1,3-Dihydroxybenzene diacetate108-58-755 % similar 8-Acetoxyquinoline2598-29-054 % similar Aspirin50-78-253 % similar Acetylsalicyloyl chloride5538-51-253 % 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 1,2,4-Triacetoxybenzene613-03-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook