chempirical

Trimethyl citrate

C9H14O7CAS 1587-20-8234.20 g/mol

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AlcoholEster

Properties

Molecular formula
C9H14O7
Molar mass
234.20 g/mol
Exact mass
234.0740 Da
Melting point
79.3 °C
Boiling point
285 °C
logP
-0.98Crippen estimate
Polar surface area
99.1 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
5

Identifiers

CAS number
1587-20-8
SMILES
COC(=O)CC(O)(CC(=O)OC)C(=O)OC
InChIKey
HDDLVZWGOPWKFW-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-trimethyl ester
  • Citric acid, trimethyl ester
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trimethyl ester
  • NSC 75824
  • 3-Hydroxy-3-methoxycarbonylpentanedioic acid dimethyl ester
  • 1,2,3-Trimethyl 2-hydroxypropane-1,2,3-tricarboxylate

Work with Trimethyl citrate

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

Triethyl citrate77-93-055 % similar Tributyl citrate77-94-149 % similar Methyl 2-hydroxyisobutyrate2110-78-347 % similar Dimethyl 1,1-cyclopropanedicarboxylate6914-71-245 % similar Methyl glycolate96-35-545 % similar Dimethyl succinate106-65-044 % similar Dimethyl malonate108-59-844 % similar Methyl 1-(mercaptomethyl)cyclopropaneacetate152922-73-144 % similar

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

Elsewhere

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