But-2-ene-1,2,3-tricarboxylic acid
TL;DR: But-2-ene-1,2,3-tricarboxylic acid (CAS 89856-34-8) is a chemical compound with molecular formula C7H8O6 and molecular weight 188.03209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-ene-1,2,3-tricarboxylic acid
Also Known As: methylaconitic acid, alpha-Methylaconitate, alpha-Methyl-cis-aconitate, but-2-ene-1,2,3-tricarboxylic acid, 2-Butene-1,2,3-tricarboxylic acid
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8O6 |
| Molecular Weight | 188.03209 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.03209 Da |
| Heavy Atoms | 13 |
| Complexity | 287.0 |
| SMILES | CC(=C(CC(=O)O)C(=O)O)C(=O)O |
| InChIKey | NUZLRKBHOBPTQV-UHFFFAOYSA-N |
Product Description
Applications: But-2-ene-1,2,3-tricarboxylic acid is used in polymer chemistry and functional materials synthesis, as well as specialty chemical manufacturing and formulation. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
But-2-ene-1,2,3-tricarboxylic acid (CAS 89856-34-8) is a polymer intermediate with the molecular formula C7H8O6 and a molecular weight of 188.03 g/mol. Synonyms include methylaconitic acid and alpha-Methylaconitate.
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 But-2-ene-1,2,3-tricarboxylic acid
Property Insights of But-2-ene-1,2,3-tricarboxylic acid
The XLogP value of -0.6 indicates that But-2-ene-1,2,3-tricarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-ene-1,2,3-tricarboxylic acid. Following Lipinski's Rule of Five, But-2-ene-1,2,3-tricarboxylic acid has 3 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 But-2-ene-1,2,3-tricarboxylic acid?
The CAS number of But-2-ene-1,2,3-tricarboxylic acid is 89856-34-8.
What is the molecular formula of But-2-ene-1,2,3-tricarboxylic acid?
The molecular formula of But-2-ene-1,2,3-tricarboxylic acid is C7H8O6.
What is the molecular weight of But-2-ene-1,2,3-tricarboxylic acid?
The molecular weight of But-2-ene-1,2,3-tricarboxylic acid is 188.03209 g/mol.
What are the applications of But-2-ene-1,2,3-tricarboxylic acid?
But-2-ene-1,2,3-tricarboxylic acid is used in polymer chemistry and functional materials synthesis, as well as specialty chemical manufacturing and formulation. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy But-2-ene-1,2,3-tricarboxylic acid?
You can request a quote for But-2-ene-1,2,3-tricarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for But-2-ene-1,2,3-tricarboxylic acid?
Yes, CoreyChem provides custom synthesis services for But-2-ene-1,2,3-tricarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.