2-Methylene-4-oxobutanoic acid
TL;DR: 2-Methylene-4-oxobutanoic acid (CAS 155984-11-5) 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.
2-methylidene-4-oxobutanoic acid
Also Known As: 2-Methylene-4-oxobutanoic acid, 2-methylidene-4-oxo-butanoic 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=C(CC=O)C(=O)O |
| InChIKey | NATITTLIDUCCMB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methylene-4-oxobutanoic acid
Property Insights of 2-Methylene-4-oxobutanoic acid
The XLogP value of -0.2 indicates that 2-Methylene-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Methylene-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylene-4-oxobutanoic 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 2-Methylene-4-oxobutanoic acid?
The CAS number of 2-Methylene-4-oxobutanoic acid is 155984-11-5.
What is the molecular formula of 2-Methylene-4-oxobutanoic acid?
The molecular formula of 2-Methylene-4-oxobutanoic acid is C5H6O3.
What is the molecular weight of 2-Methylene-4-oxobutanoic acid?
The molecular weight of 2-Methylene-4-oxobutanoic acid is 114.03169 g/mol.
Where can I buy 2-Methylene-4-oxobutanoic acid?
You can request a quote for 2-Methylene-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylene-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methylene-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.