AC1L51VC
benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid
Also Known As: Isophthalic acid, adipic acid, neopentyl glycol, trimethylol propane polymer|1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid|Adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane polymer|Adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropane resin|Adipic acid, isophthalic acid, trimethylolpropane, neopentyl glycol polymer|Adipic acid, neopentyl glycol, trimethylolpropane, isophthalic acid polymer|Adipic acid, neopentyl glycol, trimethylolpropane, isophthalic acidpolymer|Adipic acid, trimethanolpropane, neopentyl glycol isophthalic acid resin|Isophthalic acid, adipic acid, trimethylolpropane, neopentyl glycol polymer|Isophthalic acid, neopentyl glycol, adipic acid, trimethylolpropane polymer|Neopentyl glycol, isophthalic acid, adipic acid, trimethylolpropane polymer|Neopentyl glycol, trimethylol propane, isophthalic acid, adipic acid polymer|Neopentyl glycol, trimethylolpropane, adipic acid, isophthalic acid polymer|Neopentyl glycol, trimethylolpropane, adipic acid, isophthalic acid resin|Neopentyl glycol, trimethylolpropane, isophthalic acid, adipic acid polymer|Trimethylolpropane, neopentyl glycol, adipic acid, isophthalic acid polymer|(C8-H6-O4.C6-H14-O3.C6-H10-O4.C5-H12-O2)x-|Neopentylglycol, trimethylolpropane, isophthalic acid, adipic acid, polyester resin|1,3-Benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid polymer|2-Ethyl-2-(hydroxymethyl)-1,3-propanediol, neopentyl glycol, adipic acid, 1,3-benzenedicarboxylic acid polymer|Adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropanepolymer|Adipic acid, isophthalic acid, neopentyl glycol, trimethylolpropaneresin|Adipic acid, isophthalic acid, trimethylolpropane, neopentyl glycolpolymer|adipic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isophthalic acid|benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid|Isophthalic acid, adipic acid, trimethylolpropane, neopentyl glycolpolymer|Isophthalic acid, neopentyl glycol, adipic acid, trimethylolpropanepolymer|Neopentyl glycol, isophthalic acid, adipic acid, trimethylolpropanepolymer|Neopentyl glycol, trimethylolpropane, adipic acid, isophthalic acidpolymer|Neopentyl glycol, trimethylolpropane, adipic acid, isophthalic acidresin|Neopentyl glycol, trimethylolpropane, isophthalic acid, adipic acidpolymer|Trimethylolpropane, neopentyl glycol, adipic acid, isophthalic acidpolymer|Neopentylglycol, trimethylolpropane, isophthalic acid, adipic acid,polyester resin|2-Ethyl-2-(hydroxymethyl)-1,3-propanediol, neopentyl glycol, adipicacid, 1,3-benzenedicarboxylic acid polymer|benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid
| Molecular Formula | C25H42O13 |
|---|---|
| Molecular Weight | 550.2625 g/mol |
| LogP | 1.1559 |
| Topological Polar Surface Area | 250.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 550.2625 |
| Monoisotopic Mass | 550.2625 |
| Heavy Atoms | 38 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 31330-50-4 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O |
| InChIKey | IEDXXJZTLGWDSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L51VC (CAS 31330-50-4), with molecular formula C25H42O13 and molecular weight 550.2625 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid.
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