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1,3,5-Trimethylcyclohexane-1,3,5-tricarboxylate
KEMP'S TRIACID · 1,3,5-Trimethylcyclohexane-1β,3β,5β-tricarboxylic acid · Aluminum oxide, fused, #200+325 mesh, 99+% metals basis · cis,cis-1,3,5-trime.cyclohexane-1,3,5-tricarboxylic acid · CIS,CIS-1,3,5-TRIMETHYLCYCLOHEXANE-1,3,5-TRICARBOXYLIC ACID · cis,cis-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic acid · cis,cis-1,3,5-Trimethylcyclohexane-1,3,5-tricarboxylic acid 99% · 1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylicacid(Kemp'striacid)
Identifikatoren & physikalische Daten
| CAS No. | 79410-20-1 |
|---|---|
| Summenformel | C12H15O6-3 |
| Durchschnittliche Molmasse | 255,24 g/mol |
| Monoisotopische Masse | 255,08686319 g/mol |
| SMILES | CC1(C(=O)[O-])CC(C)(C(=O)[O-])CC(C)(C(=O)[O-])C1 |
| InChIKey | AZWHPGZNOIYGFB-UHFFFAOYSA-K |
| PubChem CID | 4739619 |
| DTXSID | DTXSID001000457 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 120 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | -3 |
| Komplexität | 320 |
| Schmelzpunkt | 241-243 °C(lit.) |
| Siedepunkt | 364.0±42.0 °C(Predicted) |
| Dichte | 1.301±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 4.02±0.50(Predicted) |
| BRN | 3557263 |
| InChI | 1S/C12H18O6/c1-10(7(13)14)4-11(2,8(15)16)6-12(3,5-10)9(17)18/h4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/t10-,11+,12- |
| InChIKey | AZWHPGZNOIYGFB-ZSBIGDGJSA-N |
| SMILES | C[C@@]1(C[C@](C)(C[C@](C)(C1)C(O)=O)C(O)=O)C(O)=O |
| CAS Datenbank | 79410-20-1 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Versatile molecule for molecular recognition studies. Also used to prepare a chiral auxiliary for asymmetric radical addition, allylation, and annulation reactions.