Nitromalonaldehyde
TL;DR: Nitromalonaldehyde (CAS 34461-00-2) is a chemical compound with molecular formula C3H3NO4 and molecular weight 117.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitropropanedial
Also Known As: NITROMALONALDEHYDE, 2-nitropropanedial, 2-NITROMALONALDEHYDE, Nitropropanedial, Propanedial, nitro-
| Molecular Formula | C3H3NO4 |
|---|---|
| Molecular Weight | 117.01 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.00621 |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 34461-00-2 |
|---|---|
| SMILES | C(=O)C(C=O)[N+](=O)[O-] |
| InChIKey | WQDQLOXQQUFECI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitromalonaldehyde (CAS 34461-00-2), with molecular formula C3H3NO4 and molecular weight 117.01 g/mol. IUPAC: 2-nitropropanedial.
Chemical Property Profile of Nitromalonaldehyde
Property Insights of Nitromalonaldehyde
The XLogP value of -0.5 indicates that Nitromalonaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitromalonaldehyde. Following Lipinski's Rule of Five, Nitromalonaldehyde 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 Nitromalonaldehyde?
The CAS number of Nitromalonaldehyde is 34461-00-2.
What is the molecular formula of Nitromalonaldehyde?
The molecular formula of Nitromalonaldehyde is C3H3NO4.
What is the molecular weight of Nitromalonaldehyde?
The molecular weight of Nitromalonaldehyde is 117.01 g/mol.
Where can I buy Nitromalonaldehyde?
You can request a quote for Nitromalonaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitromalonaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Nitromalonaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.