TL;DR: 9H-Fluorene-2,6-dicarboxylic acid, 9-oxo-, 2,6-dimethyl ester (CAS 67801-54-1) is a chemical compound with molecular formula C17H12O5 and molecular weight 296.06848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 9-oxofluorene-2,6-dicarboxylate
Also Known As: Dimethyl 9-oxo-9H-fluorene-2,6-dicarboxylate, dimethyl9-oxo-9H-fluorene-2,6-dicarboxylate, dimethyl 9-oxofluorene-2,6-dicarboxylate, 9H-Fluorene-2,6-dicarboxylic acid, 9-oxo-, dimethyl ester, 9H-Fluorene-2,6-dicarboxylic acid, 9-oxo-, 2,6-dimethyl ester
| Molecular Formula | C17H12O5 |
| Molecular Weight | 296.06848 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.06848 Da |
| Heavy Atoms | 22 |
| Complexity | 485.0 |
| SMILES | COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=CC(=C3)C(=O)OC |
| InChIKey | QOPVBVXFXFHNSO-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 9H-Fluorene-2,6-dicarboxylic acid, 9-oxo-, 2,6-dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Fluorene-2,6-dicarboxylic acid, 9-oxo-, 2,6-dimethyl ester. Following Lipinski's Rule of Five, 9H-Fluorene-2,6-dicarboxylic acid, 9-oxo-, 2,6-dimethyl ester has 0 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 9H-Fluorene-2,6-dicarboxylic acid, 9-oxo-, 2,6-dimethyl ester is 67801-54-1.
The molecular formula of 9H-Fluorene-2,6-dicarboxylic acid, 9-oxo-, 2,6-dimethyl ester is C17H12O5.
The molecular weight of 9H-Fluorene-2,6-dicarboxylic acid, 9-oxo-, 2,6-dimethyl ester is 296.06848 g/mol.
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