| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM2125237-1 |
| Product Name | 2,4,6-Tris(2,4-dihydroxyphenyl)-1,3,5-triazine |
| CAS | 2125-23-7 |
| Synonyms | 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(3-hydroxycyclohexa-2,5-dien-1-one) |
| IUPAC Name | 4-[4,6-Bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol |
| Molecular Weight | 405.4 |
| Molecular Formula | C21H15N3O6 |
| Canonical SMILES | C1=CC(=C(C=C1O)O)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)O)O |
| InChI | InChI=1S/C21H15N3O6/c25-10-1-4-13(16(28)7-10)19-22-20(14-5-2-11(26)8-17(14)29)24-21(23-19)15-6-3-12(27)9-18(15)30/h1-9,25-30H |
| InChIKey | SGZWJGRZDJCDIM-UHFFFAOYSA-N |
| Boiling Point | 842.6±68.0 °C |
| Melting Point | <300 °C |
| Purity | 98%+ |
| Density | 1.586±0.06 g/cm3 |
| Complexity | 483 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.09608521 |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 405.09608521 |
| Physical State | Solid |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 160 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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