Sodium 2-nitro-1,3-dioxopropan-2-ide
TL;DR: Sodium 2-nitro-1,3-dioxopropan-2-ide (CAS 1618132-18-5) is a chemical compound with molecular formula C3H2NNaO4 and molecular weight 138.98816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 2-nitro-3-oxoprop-1-en-1-olate
Also Known As: Nitromalonaldehyde sodium, Sodium 2-nitro-1,3-dioxopropan-2-ide, sodionitromalonaldehyde, NITROMALONALDEHYDE, nitromalonaldehyde sodium salt
Technical Specifications
| Molecular Formula | C3H2NNaO4 |
| Molecular Weight | 138.98816 g/mol |
| XLogP | -4.3323 |
| Topological Polar Surface Area (TPSA) | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.98816 Da |
| Heavy Atoms | 9 |
| Complexity | 123.0 |
| SMILES | C(=C(C=O)[N+](=O)[O-])[O-].[Na+] |
| InChIKey | OQMLJRMYSFKMDS-UHFFFAOYSA-M |
Chemical Property Profile of Sodium 2-nitro-1,3-dioxopropan-2-ide
Property Insights of Sodium 2-nitro-1,3-dioxopropan-2-ide
The XLogP value of -4.3323 indicates that Sodium 2-nitro-1,3-dioxopropan-2-ide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 2-nitro-1,3-dioxopropan-2-ide. Following Lipinski's Rule of Five, Sodium 2-nitro-1,3-dioxopropan-2-ide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Sodium 2-nitro-1,3-dioxopropan-2-ide?
The CAS number of Sodium 2-nitro-1,3-dioxopropan-2-ide is 1618132-18-5.
What is the molecular formula of Sodium 2-nitro-1,3-dioxopropan-2-ide?
The molecular formula of Sodium 2-nitro-1,3-dioxopropan-2-ide is C3H2NNaO4.
What is the molecular weight of Sodium 2-nitro-1,3-dioxopropan-2-ide?
The molecular weight of Sodium 2-nitro-1,3-dioxopropan-2-ide is 138.98816 g/mol.
Where can I buy Sodium 2-nitro-1,3-dioxopropan-2-ide?
You can request a quote for Sodium 2-nitro-1,3-dioxopropan-2-ide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sodium 2-nitro-1,3-dioxopropan-2-ide?
Yes, CoreyChem provides custom synthesis services for Sodium 2-nitro-1,3-dioxopropan-2-ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.