Tributyl aconitate
tributyl (Z)-prop-1-ene-1,2,3-tricarboxylate
Also Known As: Tributyl aconitate|Tributyl prop-1-ene-1,2,3-tricarboxylate|Tri-n-butyl aconitate|Aconitic acid, tributyl ester|Tributyl cis-aconitate|Tributyl aconitate [EP]|EINECS 231-468-6|cis-Aconitic acid tributyl ester|Tributyl propene-1,2,3-tricarboxylate|tributyl (Z)-prop-1-ene-1,2,3-tricarboxylate|Tributyl acetylcitrate impurity B|Acetyltributyl Citrate Impurity B|AI3-00999|1-Propene-1,2,3-tricarboxylic acid, tributyl ester|Tributyl acetylcitrate impurity B [EP]|TRIBUTYL ACONITATE [EP IMPURITY]|Tributyl Acetylcitrate EP Impurity B|TRIBUTYL ACONITATE (EP IMPURITY)|Tributylprop-1-ene-1,2,3-tricarboxylate|1,2,3-Propenetricarboxylic acid, tributyl ester|Tributyl Aconitate (Majority Trans Isomer)|1,2,3-tributyl prop-1-ene-1,2,3-tricarboxylate|TRIBUTYL ACETYLCITRATE IMPURITY B [EP IMPURITY]|Tributyl (1Z)-1-propene-1,2,3-tricarboxylate #|1-Propene-1,2,3-tricarboxylic acid tributyl ester|1-Propene-1,2,3-tricarboxylic acid, tris(N.-butyl ester)|cis-propene-1,2,3-tricarboxylic acid tributyl ester|TRIBUTYL ACETYLCITRATE IMPURITY B (EP IMPURITY)|(Z)-1-Propene-1,2,3-tricarboxylic acid tributyl ester
| Molecular Formula | C18H30O6 |
|---|---|
| Molecular Weight | 342.20422 g/mol |
| LogP | 3.3328 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 342.20422 |
| Monoisotopic Mass | 342.20422 |
| Heavy Atoms | 24 |
| Complexity | 413.73206 |
Chemical Identifiers
| CAS Number | 79671-06-0 |
|---|---|
| SMILES | CCCCOC(=O)C/C(=C/C(=O)OCCCC)/C(=O)OCCCC |
Product Overview
Tributyl aconitate (CAS 79671-06-0), with molecular formula C18H30O6 and molecular weight 342.20422 g/mol. IUPAC: tributyl (Z)-prop-1-ene-1,2,3-tricarboxylate.
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