Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid
TL;DR: Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid (CAS 163222-90-0) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
Also Known As: Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid, 1-carboxyl benzocyclobutene, 1-Benzocyclobutenecarboxylic acid, Benzocyclobutyl-1-carboxylic acid, 1-Carboxylbenzocyclobutene
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O2 |
| Molecular Weight | 148.05243 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.05243 Da |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
| SMILES | C1C(C2=CC=CC=C21)C(=O)O |
| InChIKey | NYOXTUZNVYEODT-UHFFFAOYSA-N |
Chemical Property Profile of Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid
Property Insights of Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid?
The CAS number of Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid is 163222-90-0.
What is the molecular formula of Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid?
The molecular formula of Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid is C9H8O2.
What is the molecular weight of Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid?
The molecular weight of Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid is 148.05243 g/mol.
Where can I buy Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid?
You can request a quote for Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for Bicyclo(4.2.0)octa-1,3,5-triene-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.