chempirical

Trimethyl trimellitate

C12H12O6CAS 2459-10-1252.22 g/mol

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Ester

Properties

Molecular formula
C12H12O6
Molar mass
252.22 g/mol
Exact mass
252.0634 Da
Density
1.26 g/mL
Melting point
−13 °C
Boiling point
194 °C (at 12 Torr)
logP
1.05Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Identifiers

CAS number
2459-10-1
SMILES
COC(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1
InChIKey
MJHNUUNSCNRGJE-UHFFFAOYSA-N
InChI
InChI=1S/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H3

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Names and synonyms

7 names
  • 1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl ester
  • 1,2,4-Benzenetricarboxylic acid, trimethyl ester
  • Trimellitic acid trimethyl ester
  • Trimethyl 1,2,4-benzenetricarboxylate
  • Methyl trimellitate
  • 1,2,4-Tris(methoxycarbonyl)benzene
  • TMTM

Work with Trimethyl trimellitate

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

Dimethyl 3-aminoterephthalate5372-81-671 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-269 % similar Dimethyl 2-fluoroterephthalate5292-47-769 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-069 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-366 % similar Dimethyl terephthalate120-61-665 % similar Tetramethyl pyromellitate635-10-965 % similar Dimethyl 4-hydroxyphthalate22479-95-463 % similar

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

Same formula

Trimethyl 1,3,5-benzenetricarboxylate2672-58-4 Acetpyrogall525-52-0 1,2,4-Triacetoxybenzene613-03-6

Elsewhere

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