![1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene structure](/static/products/1318/13189-09-8.webp)
1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene
TL;DR: 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene (CAS 13189-09-8) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene
Also Known As: 1-(3,3-dimethoxyprop-1-enyl)-4-nitrobenzene, 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene, 1-[(1E)-3,3-DIMETHOXYPROP-1-EN-1-YL]-4-NITROBENZENE
Technical Specifications
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.08446 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.08446 Da |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
| SMILES | COC(/C=C/C1=CC=C(C=C1)[N+](=O)[O-])OC |
| InChIKey | VDHKGYLYSYUPHZ-VMPITWQZSA-N |
Chemical Property Profile of 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene
Property Insights of 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene. Following Lipinski's Rule of Five, 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene 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 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene?
The CAS number of 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene is 13189-09-8.
What is the molecular formula of 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene?
The molecular formula of 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene is C11H13NO4.
What is the molecular weight of 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene?
The molecular weight of 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene is 223.08446 g/mol.
Where can I buy 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene?
You can request a quote for 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-[(E)-3,3-dimethoxyprop-1-enyl]-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.