2-Butenoic acid, 4-nitrophenyl ester, (E)-
TL;DR: 2-Butenoic acid, 4-nitrophenyl ester, (E)- (CAS 14617-88-0) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl) (E)-but-2-enoate
Also Known As: p-nitrophenyl crotonate, (4-nitrophenyl) (E)-but-2-enoate, 2-Butenoic acid, 4-nitrophenyl ester, 4-nitrophenyl (2E)-but-2-enoate, 2-Butenoic acid, 4-nitrophenyl ester, (E)-
Technical Specifications
| Molecular Formula | C10H9NO4 |
| Molecular Weight | 207.05316 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 Da |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
| SMILES | C/C=C/C(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | DKEFLVTVKNEDSR-NSCUHMNNSA-N |
Chemical Property Profile of 2-Butenoic acid, 4-nitrophenyl ester, (E)-
Property Insights of 2-Butenoic acid, 4-nitrophenyl ester, (E)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-nitrophenyl ester, (E)-. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 4-nitrophenyl ester, (E)-. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-nitrophenyl ester, (E)- 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-Butenoic acid, 4-nitrophenyl ester, (E)-?
The CAS number of 2-Butenoic acid, 4-nitrophenyl ester, (E)- is 14617-88-0.
What is the molecular formula of 2-Butenoic acid, 4-nitrophenyl ester, (E)-?
The molecular formula of 2-Butenoic acid, 4-nitrophenyl ester, (E)- is C10H9NO4.
What is the molecular weight of 2-Butenoic acid, 4-nitrophenyl ester, (E)-?
The molecular weight of 2-Butenoic acid, 4-nitrophenyl ester, (E)- is 207.05316 g/mol.
Where can I buy 2-Butenoic acid, 4-nitrophenyl ester, (E)-?
You can request a quote for 2-Butenoic acid, 4-nitrophenyl ester, (E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenoic acid, 4-nitrophenyl ester, (E)-?
Yes, CoreyChem provides custom synthesis services for 2-Butenoic acid, 4-nitrophenyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.