TL;DR: Propionic acid, 2-methyl-2-(o-nitrophenoxy)- (CAS 114914-80-6) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2-(2-nitrophenoxy)propanoic acid
Also Known As: 2-methyl-2-(2-nitrophenoxy)propanoic acid, 2-Methyl-2-(o-nitrophenoxy)propionic acid, Propanoic acid,2-methyl-2-(2-nitrophenoxy)-, AKOS B013938, Propionic acid, 2-methyl-2-(o-nitrophenoxy)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H11NO5 |
| Molecular Weight | 225.06372 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.06372 Da |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
| SMILES | CC(C)(C(=O)O)OC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | ONPMYXAEDVOABR-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 2-methyl-2-(o-nitrophenoxy)-. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionic acid, 2-methyl-2-(o-nitrophenoxy)-. Following Lipinski's Rule of Five, Propionic acid, 2-methyl-2-(o-nitrophenoxy)- 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 Propionic acid, 2-methyl-2-(o-nitrophenoxy)- is 114914-80-6.
The molecular formula of Propionic acid, 2-methyl-2-(o-nitrophenoxy)- is C10H11NO5.
The molecular weight of Propionic acid, 2-methyl-2-(o-nitrophenoxy)- is 225.06372 g/mol.
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