4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid
TL;DR: 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid (CAS 2922-42-1) is a chemical compound with molecular formula C7H8O5 and molecular weight 172.03717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid
Also Known As: 3-dehydroshikimate, 3-dehydroshikimic acid, (-)-3-dehydroshikimic acid, (-)-3-Dehydro Shikimic Acid, 4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
Technical Specifications
| Molecular Formula | C7H8O5 |
| Molecular Weight | 172.03717 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.03717 Da |
| Heavy Atoms | 12 |
| Complexity | 255.0 |
| SMILES | C1C(C(C(=O)C=C1C(=O)O)O)O |
| InChIKey | SLWWJZMPHJJOPH-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid
Property Insights of 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid
The XLogP value of -1.4 indicates that 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid. Following Lipinski's Rule of Five, 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid?
The CAS number of 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid is 2922-42-1.
What is the molecular formula of 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid?
The molecular formula of 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid is C7H8O5.
What is the molecular weight of 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid?
The molecular weight of 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid is 172.03717 g/mol.
Where can I buy 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid?
You can request a quote for 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.