1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid
TL;DR: 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid (CAS 105735-75-9) is a chemical compound with molecular formula C7H10O6 and molecular weight 190.04774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid
Also Known As: 5-dehydroquinic acid, Fluoranthene, 2,8-dinitro-, KST-1A9752, 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid
Technical Specifications
| Molecular Formula | C7H10O6 |
| Molecular Weight | 190.04774 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.04774 Da |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
| SMILES | C1C(C(C(=O)CC1(C(=O)O)O)O)O |
| InChIKey | WVMWZWGZRAXUBK-UHFFFAOYSA-N |
Product Description
Applications: 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid (CAS 105735-75-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid is a fine chemical identified by CAS number 105735-75-9 and the molecular formula C7H10O6 and a molecular weight of 190.05 g/mol. It is also known as 5-dehydroquinic acid and Fluoranthene, 2,8-dinitro-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid
Property Insights of 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid
The XLogP value of -2.4 indicates that 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid. Following Lipinski's Rule of Five, 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid has 4 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 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid?
The CAS number of 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid is 105735-75-9.
What is the molecular formula of 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid?
The molecular formula of 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid is C7H10O6.
What is the molecular weight of 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid?
The molecular weight of 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid is 190.04774 g/mol.
What are the applications of 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid?
1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid (CAS 105735-75-9) with custom synthesis available...
Where can I buy 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid?
You can request a quote for 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.