2-(3-Nitrophenyl)-2-oxoacetaldehyde
TL;DR: 2-(3-Nitrophenyl)-2-oxoacetaldehyde (CAS 6890-77-3) is a chemical compound with molecular formula C8H5NO4 and molecular weight 179.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-2-oxoacetaldehyde
Also Known As: 2-(3-nitrophenyl)-2-oxoacetaldehyde, 3-nitrophenylglyoxal, (3-nitrophenyl)-oxo-acetaldehyde, (3-Nitro-phenyl)-oxo-acetaldehyde, 1-(3-Nitrophenyl)glyoxal
| Molecular Formula | C8H5NO4 |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.02185 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 6890-77-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C=O |
| InChIKey | PPDGMLLCCLUIKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Nitrophenyl)-2-oxoacetaldehyde (CAS 6890-77-3), with molecular formula C8H5NO4 and molecular weight 179.02 g/mol. IUPAC: 2-(3-nitrophenyl)-2-oxoacetaldehyde.
Chemical Property Profile of 2-(3-Nitrophenyl)-2-oxoacetaldehyde
Property Insights of 2-(3-Nitrophenyl)-2-oxoacetaldehyde
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitrophenyl)-2-oxoacetaldehyde. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)-2-oxoacetaldehyde. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-2-oxoacetaldehyde 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 2-(3-Nitrophenyl)-2-oxoacetaldehyde?
The CAS number of 2-(3-Nitrophenyl)-2-oxoacetaldehyde is 6890-77-3.
What is the molecular formula of 2-(3-Nitrophenyl)-2-oxoacetaldehyde?
The molecular formula of 2-(3-Nitrophenyl)-2-oxoacetaldehyde is C8H5NO4.
What is the molecular weight of 2-(3-Nitrophenyl)-2-oxoacetaldehyde?
The molecular weight of 2-(3-Nitrophenyl)-2-oxoacetaldehyde is 179.02 g/mol.
Where can I buy 2-(3-Nitrophenyl)-2-oxoacetaldehyde?
You can request a quote for 2-(3-Nitrophenyl)-2-oxoacetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenyl)-2-oxoacetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-2-oxoacetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.