2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid
TL;DR: 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid (CAS 63980-10-9) is a chemical compound with molecular formula C8H6N2O6 and molecular weight 226.02258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dihydroxy-4-methyl-3,5-dinitrosobenzoic acid
Also Known As: 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid, p-Toluic acid, 2,6-dihydroxy-3,5-dinitroso-, 2,6-Dihydroxy-3,5-dinitroso-p-toluic acid, Benzoic acid, 2,6-dihydroxy-3,5-dinitroso-4-methyl-, Benzoic acid, 2,6-dihydroxy-4-methyl-3,5-dinitroso-
Technical Specifications
| Molecular Formula | C8H6N2O6 |
| Molecular Weight | 226.02258 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.02258 Da |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
| SMILES | CC1=C(C(=C(C(=C1N=O)O)C(=O)O)O)N=O |
| InChIKey | ZWLNSZOYUZCBFG-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid
Property Insights of 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid. Following Lipinski's Rule of Five, 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid?
The CAS number of 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid is 63980-10-9.
What is the molecular formula of 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid?
The molecular formula of 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid is C8H6N2O6.
What is the molecular weight of 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid?
The molecular weight of 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid is 226.02258 g/mol.
Where can I buy 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid?
You can request a quote for 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2,6-Dihydroxy-4-methyl-3,5-dinitrosobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.