TL;DR: 4-Oxo-4-{2-[(prop-2-enoyl)oxy]ethoxy}but-2-enoic acid (CAS 19201-36-6) is a chemical compound with molecular formula C9H10O6 and molecular weight 214.04774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-4-(2-prop-2-enoyloxyethoxy)but-2-enoic acid
Also Known As: 4-Oxo-4-{2-[(prop-2-enoyl)oxy]ethoxy}but-2-enoic acid, 2-Butenedioic acid (2Z)-, mono[2-[(1-oxo-2-propenyl)oxy]ethyl] ester
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H10O6 |
| Molecular Weight | 214.04774 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 214.04774 Da |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
| SMILES | C=CC(=O)OCCOC(=O)C=CC(=O)O |
| InChIKey | ROZDMUUELHCVQC-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-{2-[(prop-2-enoyl)oxy]ethoxy}but-2-enoic acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-{2-[(prop-2-enoyl)oxy]ethoxy}but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-{2-[(prop-2-enoyl)oxy]ethoxy}but-2-enoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Oxo-4-{2-[(prop-2-enoyl)oxy]ethoxy}but-2-enoic acid is 19201-36-6.
The molecular formula of 4-Oxo-4-{2-[(prop-2-enoyl)oxy]ethoxy}but-2-enoic acid is C9H10O6.
The molecular weight of 4-Oxo-4-{2-[(prop-2-enoyl)oxy]ethoxy}but-2-enoic acid is 214.04774 g/mol.
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