9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid
TL;DR: 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid (CAS 159345-17-2) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-oxobicyclo[3.3.1]non-6-ene-3-carboxylic acid
Also Known As: 9-oxobicyclo[3.3.1]non-6-ene-3-carboxylic acid, 9-oxobicyclo[3.3.1]non-6-ene-3-carboxylicacid, 9-oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid, 651-153-0
Technical Specifications
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.07864 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.07864 Da |
| Heavy Atoms | 13 |
| Complexity | 280.0 |
| SMILES | C1C=CC2CC(CC1C2=O)C(=O)O |
| InChIKey | SMLQNVSNMBQBPC-UHFFFAOYSA-N |
Chemical Property Profile of 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid
Property Insights of 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid?
The CAS number of 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid is 159345-17-2.
What is the molecular formula of 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid?
The molecular formula of 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid is C10H12O3.
What is the molecular weight of 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid?
The molecular weight of 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid is 180.07864 g/mol.
Where can I buy 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid?
You can request a quote for 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 9-Oxo-bicyclo(3.3.1)non-6-ene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.