硝基乙酸
TL;DR: 硝基乙酸 (CAS 625-75-2) is a chemical compound with molecular formula C2H3NO4 and molecular weight 105.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝基乙酸
2-nitroacetic acid
Also Known As: Nitroacetic acid, 2-nitroacetic acid, Acetic acid, nitro-, nitro acetate, alpha-Nitroacetic acid
| Molecular Formula | C2H3NO4 |
|---|---|
| Molecular Weight | 105.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.00621 |
| Heavy Atoms | 7 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 625-75-2 |
|---|---|
| SMILES | C(C(=O)O)[N+](=O)[O-] |
| InChIKey | RGHXWDVNBYKJQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝基乙酸 (CAS 625-75-2), with molecular formula C2H3NO4 and molecular weight 105.01 g/mol. IUPAC: 2-nitroacetic acid.
Chemical Property Profile of 硝基乙酸
Property Insights of 硝基乙酸
The XLogP value of -0.2 indicates that 硝基乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝基乙酸. Following Lipinski's Rule of Five, 硝基乙酸 has 1 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 硝基乙酸?
The CAS number of 硝基乙酸 is 625-75-2.
What is the molecular formula of 硝基乙酸?
The molecular formula of 硝基乙酸 is C2H3NO4.
What is the molecular weight of 硝基乙酸?
The molecular weight of 硝基乙酸 is 105.01 g/mol.
Where can I buy 硝基乙酸?
You can request a quote for 硝基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 硝基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.