3-Methoxybut-2-enoic acid
TL;DR: 3-Methoxybut-2-enoic acid (CAS 156947-99-8) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.04734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-methoxybut-2-enoic acid
Also Known As: 3-methoxybut-2-enoic acid, 3-methoxycrotonic acid, (Z)-3-methoxybut-2-enoic acid, (E)-, A-methoxymethacrylic acid
Technical Specifications
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.04734 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.04734 Da |
| Heavy Atoms | 8 |
| Complexity | 115.0 |
| SMILES | C/C(=C/C(=O)O)/OC |
| InChIKey | BNKISRDHFGXPMO-ARJAWSKDSA-N |
Chemical Property Profile of 3-Methoxybut-2-enoic acid
Property Insights of 3-Methoxybut-2-enoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybut-2-enoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Methoxybut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybut-2-enoic 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-Methoxybut-2-enoic acid?
The CAS number of 3-Methoxybut-2-enoic acid is 156947-99-8.
What is the molecular formula of 3-Methoxybut-2-enoic acid?
The molecular formula of 3-Methoxybut-2-enoic acid is C5H8O3.
What is the molecular weight of 3-Methoxybut-2-enoic acid?
The molecular weight of 3-Methoxybut-2-enoic acid is 116.04734 g/mol.
Where can I buy 3-Methoxybut-2-enoic acid?
You can request a quote for 3-Methoxybut-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxybut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methoxybut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.