(1,3-Phenylenedioxy)diacetic acid
TL;DR: (1,3-Phenylenedioxy)diacetic acid (CAS 102-39-6) is a chemical compound with molecular formula C10H10O6 and molecular weight 226.04774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(carboxymethoxy)phenoxy]acetic acid
Also Known As: resorcinol-o,o'-diacetic acid, m-phenylenedioxydi, (m-Phenylenedioxy)diacetic acid, m-Phenylenedioxydi(acetic acid), 2-[3-(carboxymethoxy)phenoxy]acetic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O6 |
| Molecular Weight | 226.04774 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.04774 Da |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
| SMILES | C1=CC(=CC(=C1)OCC(=O)O)OCC(=O)O |
| InChIKey | ZVMAGJJPTALGQB-UHFFFAOYSA-N |
Chemical Property Profile of (1,3-Phenylenedioxy)diacetic acid
Property Insights of (1,3-Phenylenedioxy)diacetic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Phenylenedioxy)diacetic acid. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Phenylenedioxy)diacetic acid. Following Lipinski's Rule of Five, (1,3-Phenylenedioxy)diacetic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1,3-Phenylenedioxy)diacetic acid?
The CAS number of (1,3-Phenylenedioxy)diacetic acid is 102-39-6.
What is the molecular formula of (1,3-Phenylenedioxy)diacetic acid?
The molecular formula of (1,3-Phenylenedioxy)diacetic acid is C10H10O6.
What is the molecular weight of (1,3-Phenylenedioxy)diacetic acid?
The molecular weight of (1,3-Phenylenedioxy)diacetic acid is 226.04774 g/mol.
Where can I buy (1,3-Phenylenedioxy)diacetic acid?
You can request a quote for (1,3-Phenylenedioxy)diacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1,3-Phenylenedioxy)diacetic acid?
Yes, CoreyChem provides custom synthesis services for (1,3-Phenylenedioxy)diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.