Nitroacetate
TL;DR: Nitroacetate (CAS 61201-44-3) is a chemical compound with molecular formula C2H2NO4- and molecular weight 104.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitroacetate
Also Known As: NITROACETATE, 2-nitroacetate, RefChem:1092454
| Molecular Formula | C2H2NO4- |
|---|---|
| Molecular Weight | 104.00 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 103.99838 |
| Heavy Atoms | 7 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 61201-44-3 |
|---|---|
| SMILES | C(C(=O)[O-])[N+](=O)[O-] |
| InChIKey | RGHXWDVNBYKJQH-UHFFFAOYSA-M |
Product Overview
Nitroacetate (CAS 61201-44-3), with molecular formula C2H2NO4- and molecular weight 104.00 g/mol. IUPAC: 2-nitroacetate.
Chemical Property Profile of Nitroacetate
Property Insights of Nitroacetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitroacetate. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitroacetate. Following Lipinski's Rule of Five, Nitroacetate 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
Frequently Asked Questions
What is the CAS number of Nitroacetate?
The CAS number of Nitroacetate is 61201-44-3.
What is the molecular formula of Nitroacetate?
The molecular formula of Nitroacetate is C2H2NO4-.
What is the molecular weight of Nitroacetate?
The molecular weight of Nitroacetate is 104.00 g/mol.
Where can I buy Nitroacetate?
You can request a quote for Nitroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitroacetate?
Yes, KEHONG BIO provides custom synthesis services for Nitroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.