3-Carboxy-6-methylcoumarin
TL;DR: 3-Carboxy-6-methylcoumarin (CAS 10242-13-4) is a chemical compound with molecular formula C11H8O4 and molecular weight 204.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-oxochromene-3-carboxylic acid
Also Known As: 6-methyl-2-oxo-2H-chromene-3-carboxylic acid, 6-methyl-2-oxochromene-3-carboxylic acid, 3-Carboxy-6-methylcoumarin, 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 6-METHYL-2-OXO-, 6-Methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8O4 |
| Molecular Weight | 204.04225 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.04225 Da |
| Heavy Atoms | 15 |
| Complexity | 331.0 |
| SMILES | CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)O |
| InChIKey | FJICLQQBBFWGMZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Carboxy-6-methylcoumarin
Property Insights of 3-Carboxy-6-methylcoumarin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxy-6-methylcoumarin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxy-6-methylcoumarin. Following Lipinski's Rule of Five, 3-Carboxy-6-methylcoumarin has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Carboxy-6-methylcoumarin?
The CAS number of 3-Carboxy-6-methylcoumarin is 10242-13-4.
What is the molecular formula of 3-Carboxy-6-methylcoumarin?
The molecular formula of 3-Carboxy-6-methylcoumarin is C11H8O4.
What is the molecular weight of 3-Carboxy-6-methylcoumarin?
The molecular weight of 3-Carboxy-6-methylcoumarin is 204.04225 g/mol.
Where can I buy 3-Carboxy-6-methylcoumarin?
You can request a quote for 3-Carboxy-6-methylcoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Carboxy-6-methylcoumarin?
Yes, CoreyChem provides custom synthesis services for 3-Carboxy-6-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.