TL;DR: 2-(carboxymethyl)oxirane-2,3-dicarboxylic Acid (CAS 155551-03-4) is a chemical compound with molecular formula C6H6O7 and molecular weight 190.01135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(carboxymethyl)oxirane-2,3-dicarboxylic acid
Also Known As: Epoxytricarballylic acid, Citric acid Impurity 1, 2-(carboxymethyl)oxirane-2,3-dicarboxylic Acid, 1,2-Epoxypropane-1,2,3-tricarboxylic acid, J2.412.674I
| Molecular Formula | C6H6O7 |
| Molecular Weight | 190.01135 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.01135 Da |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
| SMILES | C(C(=O)O)C1(C(O1)C(=O)O)C(=O)O |
| InChIKey | NEDLLNIZNWRDMG-UHFFFAOYSA-N |
The XLogP value of -1.6 indicates that 2-(carboxymethyl)oxirane-2,3-dicarboxylic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(carboxymethyl)oxirane-2,3-dicarboxylic Acid. Following Lipinski's Rule of Five, 2-(carboxymethyl)oxirane-2,3-dicarboxylic Acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(carboxymethyl)oxirane-2,3-dicarboxylic Acid is 155551-03-4.
The molecular formula of 2-(carboxymethyl)oxirane-2,3-dicarboxylic Acid is C6H6O7.
The molecular weight of 2-(carboxymethyl)oxirane-2,3-dicarboxylic Acid is 190.01135 g/mol.
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