3-Acetyl-umbelliferone
TL;DR: 3-Acetyl-umbelliferone (CAS 10441-31-3) 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.
3-acetyl-7-hydroxychromen-2-one
Also Known As: 3-acetyl-7-hydroxy-2H-chromen-2-one, 3-Acetyl-umbelliferone, 3-Acetyl-7-hydroxycoumarin, 3-acetylumbelliferone, 3-acetyl-7-hydroxychromen-2-one
Technical Specifications
| Molecular Formula | C11H8O4 |
| Molecular Weight | 204.04225 g/mol |
| XLogP | 1.4 |
| 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 | CC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O |
| InChIKey | BRQZHMHHZLRXOO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Acetyl-umbelliferone
Property Insights of 3-Acetyl-umbelliferone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-umbelliferone. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-umbelliferone. Following Lipinski's Rule of Five, 3-Acetyl-umbelliferone 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-Acetyl-umbelliferone?
The CAS number of 3-Acetyl-umbelliferone is 10441-31-3.
What is the molecular formula of 3-Acetyl-umbelliferone?
The molecular formula of 3-Acetyl-umbelliferone is C11H8O4.
What is the molecular weight of 3-Acetyl-umbelliferone?
The molecular weight of 3-Acetyl-umbelliferone is 204.04225 g/mol.
Where can I buy 3-Acetyl-umbelliferone?
You can request a quote for 3-Acetyl-umbelliferone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Acetyl-umbelliferone?
Yes, CoreyChem provides custom synthesis services for 3-Acetyl-umbelliferone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.