![3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid structure](/static/products/6004/6004-78-0.webp)
3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid
TL;DR: 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid (CAS 6004-78-0) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid
Also Known As: 3-oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.05283 |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 6004-78-0 |
|---|---|
| SMILES | C1C2C(C(C1C3C2O3)C(=O)O)C(=O)O |
| InChIKey | ZYCPWLWYIXEJSF-UHFFFAOYSA-N |
Product Overview
3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid (CAS 6004-78-0), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: 3-oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid.
Chemical Property Profile of 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid
Property Insights of 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid
The XLogP value of -0.5 indicates that 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid. Following Lipinski's Rule of Five, 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid has 2 hydrogen bond donor(s) and 5 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 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid?
The CAS number of 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid is 6004-78-0.
What is the molecular formula of 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid?
The molecular formula of 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid is C9H10O5.
What is the molecular weight of 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid?
The molecular weight of 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid is 198.05 g/mol.
Where can I buy 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid?
You can request a quote for 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.