3-Oxo-4-pentenoic acid
TL;DR: 3-Oxo-4-pentenoic acid (CAS 152826-72-7) is a chemical compound with molecular formula C5H6O3 and molecular weight 114.03169 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxopent-4-enoic acid
Also Known As: 3-oxo-4-pentenoic acid, 3-oxopent-4-enoic acid, 4-Pentenoic acid, 3-oxo-, 3-keto-4-pen tenoic acid
Technical Specifications
| Molecular Formula | C5H6O3 |
| Molecular Weight | 114.03169 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.03169 Da |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
| SMILES | C=CC(=O)CC(=O)O |
| InChIKey | KSSFGJUSMXZBDD-UHFFFAOYSA-N |
Chemical Property Profile of 3-Oxo-4-pentenoic acid
Property Insights of 3-Oxo-4-pentenoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-4-pentenoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Oxo-4-pentenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-4-pentenoic acid has 1 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 3-Oxo-4-pentenoic acid?
The CAS number of 3-Oxo-4-pentenoic acid is 152826-72-7.
What is the molecular formula of 3-Oxo-4-pentenoic acid?
The molecular formula of 3-Oxo-4-pentenoic acid is C5H6O3.
What is the molecular weight of 3-Oxo-4-pentenoic acid?
The molecular weight of 3-Oxo-4-pentenoic acid is 114.03169 g/mol.
Where can I buy 3-Oxo-4-pentenoic acid?
You can request a quote for 3-Oxo-4-pentenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Oxo-4-pentenoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Oxo-4-pentenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.