3-Chloropent-2-enedioic acid
TL;DR: 3-Chloropent-2-enedioic acid (CAS 144660-36-6) is a chemical compound with molecular formula C5H5ClO4 and molecular weight 163.98764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-chloropent-2-enedioic acid
Also Known As: 3-chloropent-2-enedioic acid, 3-chloro-2-pentenedioic acid, (E)-3-chloropent-2-enedioic acid, (2E)-3-chloropent-2-enedioic acid
Technical Specifications
| Molecular Formula | C5H5ClO4 |
| Molecular Weight | 163.98764 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.98764 Da |
| Heavy Atoms | 10 |
| Complexity | 184.0 |
| SMILES | C(/C(=C\C(=O)O)/Cl)C(=O)O |
| InChIKey | PPCWILRGIFTXNS-HNQUOIGGSA-N |
Chemical Property Profile of 3-Chloropent-2-enedioic acid
Property Insights of 3-Chloropent-2-enedioic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloropent-2-enedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloropent-2-enedioic acid. Following Lipinski's Rule of Five, 3-Chloropent-2-enedioic acid has 2 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 3-Chloropent-2-enedioic acid?
The CAS number of 3-Chloropent-2-enedioic acid is 144660-36-6.
What is the molecular formula of 3-Chloropent-2-enedioic acid?
The molecular formula of 3-Chloropent-2-enedioic acid is C5H5ClO4.
What is the molecular weight of 3-Chloropent-2-enedioic acid?
The molecular weight of 3-Chloropent-2-enedioic acid is 163.98764 g/mol.
Where can I buy 3-Chloropent-2-enedioic acid?
You can request a quote for 3-Chloropent-2-enedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloropent-2-enedioic acid?
Yes, CoreyChem provides custom synthesis services for 3-Chloropent-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.