1,2,4-Benzenetricarboxylic acid, monobutyl ester
4-butoxycarbonylbenzene-1,3-dicarboxylic acid
Also Known As: Trimellitic acid 1-butyl|EINECS 249-301-0|4-(butoxycarbonyl)isophthalicacid|EINECS 257-105-1|4-(Butoxycarbonyl)isophthalic acid|1,2,4-Benzenetricarboxylic acid, monobutyl ester|Butyl dihydrogen benzene-1,2,4-tricarboxylate|1,2,4-Benzenetricarboxylic acid, butyl ester|4-butoxycarbonylbenzene-1,3-dicarboxylic acid|4-(butoxycarbonyl)benzene-1,3-dicarboxylic acid|1,2,4-Benzenetricarboxylic acid dihydrogen 1-butyl ester
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.07904 g/mol |
| LogP | 2.04 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 505.9 |
Chemical Identifiers
| CAS Number | 28904-29-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O |
Product Overview
1,2,4-Benzenetricarboxylic acid, monobutyl ester (CAS 28904-29-2), with molecular formula C13H14O6 and molecular weight 266.07904 g/mol. IUPAC: 4-butoxycarbonylbenzene-1,3-dicarboxylic acid.
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