4-(3-Nitrophenoxy)phthalic acid
TL;DR: 4-(3-Nitrophenoxy)phthalic acid (CAS 114026-05-0) is a chemical compound with molecular formula C14H9NO7 and molecular weight 303.0379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-nitrophenoxy)phthalic acid
Also Known As: 4-(3-nitrophenoxy)phthalic acid, 4-(3-nitrophenoxy)benzene-1,2-dicarboxylic acid, BIM-0013315.P001
Technical Specifications
| Molecular Formula | C14H9NO7 |
| Molecular Weight | 303.0379 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.0379 Da |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
| SMILES | C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)[N+](=O)[O-] |
| InChIKey | VUDXTDPDLUQWOZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Nitrophenoxy)phthalic acid
Property Insights of 4-(3-Nitrophenoxy)phthalic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Nitrophenoxy)phthalic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Nitrophenoxy)phthalic acid. Following Lipinski's Rule of Five, 4-(3-Nitrophenoxy)phthalic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(3-Nitrophenoxy)phthalic acid?
The CAS number of 4-(3-Nitrophenoxy)phthalic acid is 114026-05-0.
What is the molecular formula of 4-(3-Nitrophenoxy)phthalic acid?
The molecular formula of 4-(3-Nitrophenoxy)phthalic acid is C14H9NO7.
What is the molecular weight of 4-(3-Nitrophenoxy)phthalic acid?
The molecular weight of 4-(3-Nitrophenoxy)phthalic acid is 303.0379 g/mol.
Where can I buy 4-(3-Nitrophenoxy)phthalic acid?
You can request a quote for 4-(3-Nitrophenoxy)phthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Nitrophenoxy)phthalic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Nitrophenoxy)phthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.