AC1L57J8
benzene-1,3-dicarboxylic acid;ethane-1,2-diol;propane-1,2,3-triol;terephthalic acid
Also Known As: (C8-H6-O4.C8-H6-O4.C3-H8-O3.C2-H6-O2)x-|Glycerol, ethylene glycol, isophthalic acid, terephthalic acid polymer|1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,2-ethanediol and 1,2,3-propanetriol|benzene-1,3-dicarboxylic acid; ethane-1,2-diol; propane-1,2,3-triol; terephthalic acid|benzene-1,3-dicarboxylic acid; benzene-1,4-dicarboxylic acid; ethane-1,2-diol; propane-1,2,3-triol
| Molecular Formula | C21H26O13 |
|---|---|
| Molecular Weight | 486.13733 g/mol |
| LogP | -0.5311 |
| Topological Polar Surface Area | 250.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.13733 |
| Monoisotopic Mass | 486.13733 |
| Heavy Atoms | 34 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 55478-72-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O.C(C(CO)O)O |
| InChIKey | KXMBTQKXFRMTMK-UHFFFAOYSA-N |
Product Overview
AC1L57J8 (CAS 55478-72-3), with molecular formula C21H26O13 and molecular weight 486.13733 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;ethane-1,2-diol;propane-1,2,3-triol;terephthalic acid.
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