TL;DR: 4-Oxo-3,10-dioxatricyclo[5.2.1.0,1,5]decane-6-carboxylic acid (CAS 146728-81-6) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylic acid
Also Known As: 4-Oxo-3,10-dioxatricyclo[5.2.1.0,1,5]decane-6-carboxylic acid, 1-Oxohexahydro-3h-3a,6-epoxyisobenzofuran-7-carboxylic acid, 4-Oxo-3,10-dioxatricyclo[5.2.1.0,1,5]decane-6-carboxylicacid, 4-oxo-3,10-dioxatricyclo[5.2.1.0~1,5~]decane-6-carboxylic acid, rac-(1R,5S,6R,7S)-4-oxo-3,10-dioxatricyclo[5.2.1.0,1,5]decane-6-carboxylic acid
| Molecular Formula | C9H10O5 |
| Molecular Weight | 198.05283 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.05283 Da |
| Heavy Atoms | 14 |
| Complexity | 325.0 |
| SMILES | C1CC23COC(=O)C2C(C1O3)C(=O)O |
| InChIKey | ZTNJBIVXMUDZMQ-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that 4-Oxo-3,10-dioxatricyclo[5.2.1.0,1,5]decane-6-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-3,10-dioxatricyclo[5.2.1.0,1,5]decane-6-carboxylic acid. Following Lipinski's Rule of Five, 4-Oxo-3,10-dioxatricyclo[5.2.1.0,1,5]decane-6-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Oxo-3,10-dioxatricyclo[5.2.1.0,1,5]decane-6-carboxylic acid is 146728-81-6.
The molecular formula of 4-Oxo-3,10-dioxatricyclo[5.2.1.0,1,5]decane-6-carboxylic acid is C9H10O5.
The molecular weight of 4-Oxo-3,10-dioxatricyclo[5.2.1.0,1,5]decane-6-carboxylic acid is 198.05283 g/mol.
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