Coumarin-3-Carboxylic Acid
TL;DR: Coumarin-3-Carboxylic Acid (CAS 531-81-7) is a chemical compound with molecular formula C10H6O4 and molecular weight 190.02661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxochromene-3-carboxylic acid
Also Known As: Coumarin-3-carboxylic acid, 2-Oxo-2H-chromene-3-carboxylic acid, 3-Carboxycoumarin, 2-Oxochromene-3-carboxylic acid, G 1 (rodenticide)
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H6O4 |
| Molecular Weight | 190.02661 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02661 Da |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O |
| InChIKey | ACMLKANOGIVEPB-UHFFFAOYSA-N |
Product Description
Applications: Coumarin-3-Carboxylic Acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Coumarin-3-Carboxylic Acid (CAS 531-81-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Coumarin-3-Carboxylic Acid (CAS 531-81-7) has the molecular formula C10H6O4 and a molecular weight of 190.03 g/mol. It is also known as Coumarin-3-carboxylic acid and 2-Oxo-2H-chromene-3-carboxylic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Coumarin-3-Carboxylic Acid
Property Insights of Coumarin-3-Carboxylic Acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin-3-Carboxylic Acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin-3-Carboxylic Acid. Following Lipinski's Rule of Five, Coumarin-3-Carboxylic Acid 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 Coumarin-3-Carboxylic Acid?
The CAS number of Coumarin-3-Carboxylic Acid is 531-81-7.
What is the molecular formula of Coumarin-3-Carboxylic Acid?
The molecular formula of Coumarin-3-Carboxylic Acid is C10H6O4.
What is the molecular weight of Coumarin-3-Carboxylic Acid?
The molecular weight of Coumarin-3-Carboxylic Acid is 190.02661 g/mol.
What are the applications of Coumarin-3-Carboxylic Acid?
Coumarin-3-Carboxylic Acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Coumarin-3-Carboxylic Acid...
Where can I buy Coumarin-3-Carboxylic Acid?
You can request a quote for Coumarin-3-Carboxylic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Coumarin-3-Carboxylic Acid?
Yes, CoreyChem provides custom synthesis services for Coumarin-3-Carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.