TL;DR: Propiophenone, 4'-nitroso- (CAS 53033-81-1) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrosophenyl)propan-1-one
Also Known As: p-Nitrosopropiophenone, 4-Nitrosopropiophenone, Propiophenone, 4'-nitroso-, 1-(4-nitrosophenyl)propan-1-one, 1-Propanone, 1-(4-nitrosophenyl)-
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.06332 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 Da |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
| SMILES | CCC(=O)C1=CC=C(C=C1)N=O |
| InChIKey | VUHULBJCIYOTTK-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propiophenone, 4'-nitroso-. With a topological polar surface area (TPSA) of 46.5 Ų, Propiophenone, 4'-nitroso- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propiophenone, 4'-nitroso- has 0 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 Propiophenone, 4'-nitroso- is 53033-81-1.
The molecular formula of Propiophenone, 4'-nitroso- is C9H9NO2.
The molecular weight of Propiophenone, 4'-nitroso- is 163.06332 g/mol.
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