TL;DR: 3-(3-Hydroxyquinoxalin-2-yl)acrylic acid (CAS 1195167-90-8) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
Also Known As: 3-(3-Hydroxyquinoxalin-2-yl)acrylic acid, 3-(3-hydroxyquinoxalin-2-yl)prop-2-enoic acid, 3-(3-Hydroxyquinoxalin-2-yl)acrylicacid, 3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic Acid, (2Z)-3-(3-hydroxyquinoxalin-2-yl)acrylic acid
| Molecular Formula | C11H8N2O3 |
| Molecular Weight | 216.0535 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.0535 Da |
| Heavy Atoms | 16 |
| Complexity | 373.0 |
| SMILES | C1=CC=C2C(=C1)NC(=O)C(=N2)/C=C/C(=O)O |
| InChIKey | HMYGHKLPRIZCFM-AATRIKPKSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Hydroxyquinoxalin-2-yl)acrylic acid. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Hydroxyquinoxalin-2-yl)acrylic acid. Following Lipinski's Rule of Five, 3-(3-Hydroxyquinoxalin-2-yl)acrylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(3-Hydroxyquinoxalin-2-yl)acrylic acid is 1195167-90-8.
The molecular formula of 3-(3-Hydroxyquinoxalin-2-yl)acrylic acid is C11H8N2O3.
The molecular weight of 3-(3-Hydroxyquinoxalin-2-yl)acrylic acid is 216.0535 g/mol.
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