AC1Q5U31
benzene-1,3-dicarboxylic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid
Also Known As: Trimethylolpropane, adipic acid, isophthalic acid polymer|Trimethylolpropane, isophthalic acid, adipic acid polymer|(C8-H6-O4.C6-H14-O3.C6-H10-O4)x-|Adipic acid, isophthalic acid, trimethylolpropane resin|adipic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isophthalic acid|1,3-Benzenedicarboxylic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid|benzene-1,3-dicarboxylic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid
| Molecular Formula | C20H30O11 |
|---|---|
| Molecular Weight | 446.1788 g/mol |
| LogP | 1.1587 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 446.1788 |
| Monoisotopic Mass | 446.1788 |
| Heavy Atoms | 31 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 34844-23-0 |
|---|---|
| SMILES | CCC(CO)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O |
| InChIKey | MFWOZBHCMVRXII-UHFFFAOYSA-N |
Product Overview
AC1Q5U31 (CAS 34844-23-0), with molecular formula C20H30O11 and molecular weight 446.1788 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid.
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