TL;DR: 1-Carboxyvinyl carboxyphosphonate (CAS 122723-92-6) is a chemical compound with molecular formula C4H5O7P and molecular weight 195.9773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[carboxy(hydroxy)phosphoryl]oxyprop-2-enoic acid
Also Known As: 1-Carboxyvinyl carboxyphosphonate, Carboxyphosphonoenolpyruvate, Carboxyphosphoenolpyruvic acid, 1-carboxyethenyl hydrogen carboxyphosphonate, 1-Carboxyethenyloxyphosphonylformic acid
| Molecular Formula | C4H5O7P |
| Molecular Weight | 195.9773 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.9773 Da |
| Heavy Atoms | 12 |
| Complexity | 279.0 |
| SMILES | C=C(C(=O)O)OP(=O)(C(=O)O)O |
| InChIKey | LPUFGTSGSICQBX-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that 1-Carboxyvinyl carboxyphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carboxyvinyl carboxyphosphonate. Following Lipinski's Rule of Five, 1-Carboxyvinyl carboxyphosphonate 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 1-Carboxyvinyl carboxyphosphonate is 122723-92-6.
The molecular formula of 1-Carboxyvinyl carboxyphosphonate is C4H5O7P.
The molecular weight of 1-Carboxyvinyl carboxyphosphonate is 195.9773 g/mol.
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