Acetoxyacetic acid
TL;DR: Acetoxyacetic acid (CAS 13831-30-6) is a chemical compound with molecular formula C4H6O4 and molecular weight 118.02661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyloxyacetic acid
Also Known As: Acetoxyacetic acid, 2-acetoxyacetic acid, 2-acetyloxyacetic acid, Acetic acid, 2-(acetyloxy)-, (Acetyloxy)acetic acid
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.02661 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.02661 Da |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
| SMILES | CC(=O)OCC(=O)O |
| InChIKey | MLXDUYUQINCFFV-UHFFFAOYSA-N |
Chemical Property Profile of Acetoxyacetic acid
Property Insights of Acetoxyacetic acid
The XLogP value of -0.3 indicates that Acetoxyacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetoxyacetic acid. Following Lipinski's Rule of Five, Acetoxyacetic 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 Acetoxyacetic acid?
The CAS number of Acetoxyacetic acid is 13831-30-6.
What is the molecular formula of Acetoxyacetic acid?
The molecular formula of Acetoxyacetic acid is C4H6O4.
What is the molecular weight of Acetoxyacetic acid?
The molecular weight of Acetoxyacetic acid is 118.02661 g/mol.
Where can I buy Acetoxyacetic acid?
You can request a quote for Acetoxyacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetoxyacetic acid?
Yes, CoreyChem provides custom synthesis services for Acetoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.