TL;DR: 2-(2-Hydroxy-4-methoxyphenyl)-2-oxoacetic acid (CAS 120240-70-2) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.03717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
Also Known As: 2-(2-hydroxy-4-methoxyphenyl)-2-oxoacetic acid, (2-hydroxy-4-methoxy-phenyl)-glyoxylic acid, 2-(2-hydroxy-4-methoxy-phenyl)-2-oxo-acetic Acid, (2-HYDROXY-4-METHOXYPHENYL)(OXO)ACETIC ACID
| Molecular Formula | C9H8O5 |
| Molecular Weight | 196.03717 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.03717 Da |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
| SMILES | COC1=CC(=C(C=C1)C(=O)C(=O)O)O |
| InChIKey | NBANOCCTBSTANC-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxy-4-methoxyphenyl)-2-oxoacetic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Hydroxy-4-methoxyphenyl)-2-oxoacetic acid. Following Lipinski's Rule of Five, 2-(2-Hydroxy-4-methoxyphenyl)-2-oxoacetic acid has 2 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 2-(2-Hydroxy-4-methoxyphenyl)-2-oxoacetic acid is 120240-70-2.
The molecular formula of 2-(2-Hydroxy-4-methoxyphenyl)-2-oxoacetic acid is C9H8O5.
The molecular weight of 2-(2-Hydroxy-4-methoxyphenyl)-2-oxoacetic acid is 196.03717 g/mol.
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