TL;DR: 4-((1Z)-2-nitrovinyl)-1,2-dimethoxybenzene (CAS 1207842-90-7) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dimethoxy-4-[(Z)-2-nitroethenyl]benzene
Also Known As: 3,4-Dimethoxy-w-nitrostyren, 3,4-Dimethoxy-;b-nitrostyrene, 4-((1Z)-2-nitrovinyl)-1,2-dimethoxybenzene, 1,2-dimethoxy-4-[(Z)-2-nitroethenyl]benzene
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.0688 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0688 Da |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C\[N+](=O)[O-])OC |
| InChIKey | SYJMYDMKPSZMSB-WAYWQWQTSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1Z)-2-nitrovinyl)-1,2-dimethoxybenzene. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1Z)-2-nitrovinyl)-1,2-dimethoxybenzene. Following Lipinski's Rule of Five, 4-((1Z)-2-nitrovinyl)-1,2-dimethoxybenzene has 0 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 4-((1Z)-2-nitrovinyl)-1,2-dimethoxybenzene is 1207842-90-7.
The molecular formula of 4-((1Z)-2-nitrovinyl)-1,2-dimethoxybenzene is C10H11NO4.
The molecular weight of 4-((1Z)-2-nitrovinyl)-1,2-dimethoxybenzene is 209.0688 g/mol.
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