![5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid structure](/static/images/no-structure.svg)
5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
TL;DR: 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid (CAS 1632468-09-7) 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.
5-(1-carboxyethenoxy)-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
Also Known As: Isochorismic acid, 5-((1-Carboxyethenyl)oxy)-6-hydroxy-1,3-cyclohexadiene-1-carboxylic acid, 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, 5-[(1-Carboxyethen-1-yl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, 6-hydroxy-5-(3-hydroxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,3-diene-1-carboxylic acid
Technical Specifications
| Molecular Formula | C10H10O6 |
| Molecular Weight | 226.04774 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.04774 Da |
| Heavy Atoms | 16 |
| Complexity | 392.0 |
| SMILES | C=C(C(=O)O)OC1C=CC=C(C1O)C(=O)O |
| InChIKey | NTGWPRCCOQCMGE-UHFFFAOYSA-N |
Chemical Property Profile of 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
Property Insights of 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid. Following Lipinski's Rule of Five, 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic 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 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid?
The CAS number of 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid is 1632468-09-7.
What is the molecular formula of 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid?
The molecular formula of 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid is C10H10O6.
What is the molecular weight of 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid?
The molecular weight of 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid is 226.04774 g/mol.
Where can I buy 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid?
You can request a quote for 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.