trimethyl methanetricarboxylate

• ChemBase ID: 294689
• Molecular Formular: C7H10O6
• Molecular Mass: 190.1507
• Monoisotopic Mass: 190.04773804
• SMILES: O=C(C(C(=O)OC)C(=O)OC)OC
• Canonical SMILES: COC(=O)C(C(=O)OC)C(=O)OC
• InChI: InChI=1S/C7H10O6/c1-11-5(8)4(6(9)12-2)7(10)13-3/h4H,1-3H3
• InChIKey: BNOIMFITGLLJTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl methanetricarboxylate
• IUPAC Traditional name: trimethyl methanetricarboxylate
• Synonyms: Trimethyl methanetricarboxylate

Database IDs

• CAS Number: 1186-73-8
• MDL Number: MFCD02178862
• PubChem SID: 180680220
• PubChem CID: 136922

CALCULATED PROPERTIES

• Acid pKa: 7.6259856
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.16196764
• LogD (pH = 7.4): -0.35928023
• Log P: -0.15875623
• Molar Refractivity: 39.5868 cm^3
• Polarizability: 16.189358 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%