Triethyl 1,3,5-benzenetricarboxylate - CAS 4105-92-4
Catalog: |
BB024771 |
Product Name: |
Triethyl 1,3,5-benzenetricarboxylate |
CAS: |
4105-92-4 |
Synonyms: |
triethyl benzene-1,3,5-tricarboxylate |
IUPAC Name: | triethyl benzene-1,3,5-tricarboxylate |
Description: | Triethyl 1,3,5-benzenetricarboxylate (CAS# 4105-92-4) is a useful research chemical. |
Molecular Weight: | 294.30 |
Molecular Formula: | C15H18O6 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC |
InChI: | InChI=1S/C15H18O6/c1-4-19-13(16)10-7-11(14(17)20-5-2)9-12(8-10)15(18)21-6-3/h7-9H,4-6H2,1-3H3 |
InChI Key: | KXGOWZRHSOJOLF-UHFFFAOYSA-N |
Boiling Point: | 385.9 °C at 760 mmHg |
Melting Point: | 134-139 °C |
Purity: | 95 % |
Density: | 1.164 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00236389 |
LogP: | 2.21670 |
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PMID | Publication Date | Title | Journal |
16983167 | 20061001 | Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives | Acta crystallographica. Section B, Structural science |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.11033829 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.11033829 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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