2-Propenoic acid, 2-nitrobutyl ester
TL;DR: 2-Propenoic acid, 2-nitrobutyl ester (CAS 5390-54-5) is a chemical compound with molecular formula C7H11NO4 and molecular weight 173.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitrobutyl prop-2-enoate
Also Known As: 2-Nitrobutyl acrylate, 2-nitrobutyl prop-2-enoate, 2-Propenoic acid, 2-nitrobutyl ester, Propenoic acid 2-nitrobutyl ester, AI3-03843
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H11NO4 |
| Molecular Weight | 173.0688 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.0688 Da |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
| SMILES | CCC(COC(=O)C=C)[N+](=O)[O-] |
| InChIKey | KDDXAKYGDJGCLF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propenoic acid, 2-nitrobutyl ester
Property Insights of 2-Propenoic acid, 2-nitrobutyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-nitrobutyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-nitrobutyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-nitrobutyl ester has 0 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 2-Propenoic acid, 2-nitrobutyl ester?
The CAS number of 2-Propenoic acid, 2-nitrobutyl ester is 5390-54-5.
What is the molecular formula of 2-Propenoic acid, 2-nitrobutyl ester?
The molecular formula of 2-Propenoic acid, 2-nitrobutyl ester is C7H11NO4.
What is the molecular weight of 2-Propenoic acid, 2-nitrobutyl ester?
The molecular weight of 2-Propenoic acid, 2-nitrobutyl ester is 173.0688 g/mol.
Where can I buy 2-Propenoic acid, 2-nitrobutyl ester?
You can request a quote for 2-Propenoic acid, 2-nitrobutyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenoic acid, 2-nitrobutyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Propenoic acid, 2-nitrobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.