2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one
TL;DR: 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one (CAS 1458674-67-3) is a chemical compound with molecular formula C11H7NO5 and molecular weight 233.03242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyl-3-hydroxy-5-nitroinden-1-one
Also Known As: 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one, 2-acetyl-3-hydroxy-5-nitroinden-1-one, 2-Acetyl-3-hydroxy-5-nitro-1H-inden-1-one, 2-[(E)-1-Hydroxyethylidene]-5-nitroindan-1,3-dione, (2E)-2-(1-hydroxyethylidene)-5-nitro-2,3-dihydro-1H-indene-1,3-dione
Technical Specifications
| Molecular Formula | C11H7NO5 |
| Molecular Weight | 233.03242 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.03242 Da |
| Heavy Atoms | 17 |
| Complexity | 434.0 |
| SMILES | CC(=O)C1=C(C2=C(C1=O)C=CC(=C2)[N+](=O)[O-])O |
| InChIKey | MWUCMXGVNLRNJM-UHFFFAOYSA-N |
Chemical Property Profile of 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one
Property Insights of 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one. Following Lipinski's Rule of Five, 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one 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 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one?
The CAS number of 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one is 1458674-67-3.
What is the molecular formula of 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one?
The molecular formula of 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one is C11H7NO5.
What is the molecular weight of 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one?
The molecular weight of 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one is 233.03242 g/mol.
Where can I buy 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one?
You can request a quote for 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one?
Yes, CoreyChem provides custom synthesis services for 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.