6-Acetocoumarin
TL;DR: 6-Acetocoumarin (CAS 1177917-22-4) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-acetylchromen-2-one
Also Known As: 6-Acetocoumarin, 6-acetylcoumarin, 6-acetylchromen-2-one, 6-acetyl-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 6-acetyl-
Technical Specifications
| Molecular Formula | C11H8O3 |
| Molecular Weight | 188.04735 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 Da |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
| SMILES | CC(=O)C1=CC2=C(C=C1)OC(=O)C=C2 |
| InChIKey | VIRDLAZXNXERGG-UHFFFAOYSA-N |
Chemical Property Profile of 6-Acetocoumarin
Property Insights of 6-Acetocoumarin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetocoumarin. With a topological polar surface area (TPSA) of 43.4 Ų, 6-Acetocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Acetocoumarin has 0 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 6-Acetocoumarin?
The CAS number of 6-Acetocoumarin is 1177917-22-4.
What is the molecular formula of 6-Acetocoumarin?
The molecular formula of 6-Acetocoumarin is C11H8O3.
What is the molecular weight of 6-Acetocoumarin?
The molecular weight of 6-Acetocoumarin is 188.04735 g/mol.
Where can I buy 6-Acetocoumarin?
You can request a quote for 6-Acetocoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Acetocoumarin?
Yes, CoreyChem provides custom synthesis services for 6-Acetocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.