Oxopentenoic acid
TL;DR: Oxopentenoic acid (CAS 4743-82-2) is a chemical compound with molecular formula C5H6O3 and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxopent-2-enoic acid
Also Known As: 4-oxopent-2-enoic acid, 3-Acetylacrylic acid, oxopentenoic acid, Acetylacrylic acid, Acetyl acrylic acid
| Molecular Formula | C5H6O3 |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.03169 |
| Heavy Atoms | 8 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 4743-82-2 |
|---|---|
| SMILES | CC(=O)C=CC(=O)O |
| InChIKey | XGTKSWVCNVUVHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxopentenoic acid (CAS 4743-82-2), with molecular formula C5H6O3 and molecular weight 114.03 g/mol. IUPAC: 4-oxopent-2-enoic acid.
Chemical Property Profile of Oxopentenoic acid
Property Insights of Oxopentenoic acid
The XLogP value of -0.3 indicates that Oxopentenoic 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, Oxopentenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxopentenoic 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
Frequently Asked Questions
What is the CAS number of Oxopentenoic acid?
The CAS number of Oxopentenoic acid is 4743-82-2.
What is the molecular formula of Oxopentenoic acid?
The molecular formula of Oxopentenoic acid is C5H6O3.
What is the molecular weight of Oxopentenoic acid?
The molecular weight of Oxopentenoic acid is 114.03 g/mol.
Where can I buy Oxopentenoic acid?
You can request a quote for Oxopentenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxopentenoic acid?
Yes, KEHONG BIO provides custom synthesis services for Oxopentenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.