6-Nitro-7-hydroxycoumarin
TL;DR: 6-Nitro-7-hydroxycoumarin (CAS 112212-20-1) is a chemical compound with molecular formula C9H5NO5 and molecular weight 207.01677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hydroxy-6-nitrochromen-2-one
Also Known As: 6-nitro-7-hydroxycoumarin, 7-hydroxy-6-nitrocoumarin, 6-NO2-7-OHC, 7-hydroxy-6-nitrochromen-2-one, 7-hydroxy-6-nitro-chromen-2-one
Technical Specifications
| Molecular Formula | C9H5NO5 |
| Molecular Weight | 207.01677 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.01677 Da |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
| SMILES | C1=CC(=O)OC2=CC(=C(C=C21)[N+](=O)[O-])O |
| InChIKey | FYTIEXBLBZJANI-UHFFFAOYSA-N |
Chemical Property Profile of 6-Nitro-7-hydroxycoumarin
Property Insights of 6-Nitro-7-hydroxycoumarin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-7-hydroxycoumarin. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-7-hydroxycoumarin. Following Lipinski's Rule of Five, 6-Nitro-7-hydroxycoumarin has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Nitro-7-hydroxycoumarin?
The CAS number of 6-Nitro-7-hydroxycoumarin is 112212-20-1.
What is the molecular formula of 6-Nitro-7-hydroxycoumarin?
The molecular formula of 6-Nitro-7-hydroxycoumarin is C9H5NO5.
What is the molecular weight of 6-Nitro-7-hydroxycoumarin?
The molecular weight of 6-Nitro-7-hydroxycoumarin is 207.01677 g/mol.
Where can I buy 6-Nitro-7-hydroxycoumarin?
You can request a quote for 6-Nitro-7-hydroxycoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Nitro-7-hydroxycoumarin?
Yes, CoreyChem provides custom synthesis services for 6-Nitro-7-hydroxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.