TL;DR: 1-oxo-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid (CAS 104904-59-8) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-oxo-5,6,7,9-tetrahydrocarbazole-3-carboxylic acid
Also Known As: 1-oxo-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid, 8-oxo-5,6,7,9-tetrahydrocarbazole-3-carboxylic Acid, 1H-Carbazole-6-carboxylic acid, 2,3,4,9-tetrahydro-1-oxo-, 8-oxo-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.0739 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.0739 Da |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
| SMILES | C1CC2=C(C(=O)C1)NC3=C2C=C(C=C3)C(=O)O |
| InChIKey | RCOVHFCIIDAMJU-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-oxo-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-oxo-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid. Following Lipinski's Rule of Five, 1-oxo-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-oxo-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid is 104904-59-8.
The molecular formula of 1-oxo-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid is C13H11NO3.
The molecular weight of 1-oxo-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid is 229.0739 g/mol.
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