2-(3-Formylphenoxy)acetonitrile
TL;DR: 2-(3-Formylphenoxy)acetonitrile (CAS 125418-90-8) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.04768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-formylphenoxy)acetonitrile
Also Known As: 2-(3-formylphenoxy)acetonitrile, (3-formylphenoxy)acetonitrile, 3-(cyanomethoxy)benzaldehyde, G37982
Technical Specifications
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.04768 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.04768 Da |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
| SMILES | C1=CC(=CC(=C1)OCC#N)C=O |
| InChIKey | HCIZCBYCDRJBSZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Formylphenoxy)acetonitrile
Property Insights of 2-(3-Formylphenoxy)acetonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Formylphenoxy)acetonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 2-(3-Formylphenoxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Formylphenoxy)acetonitrile has 0 hydrogen bond donor(s) and 3 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-(3-Formylphenoxy)acetonitrile?
The CAS number of 2-(3-Formylphenoxy)acetonitrile is 125418-90-8.
What is the molecular formula of 2-(3-Formylphenoxy)acetonitrile?
The molecular formula of 2-(3-Formylphenoxy)acetonitrile is C9H7NO2.
What is the molecular weight of 2-(3-Formylphenoxy)acetonitrile?
The molecular weight of 2-(3-Formylphenoxy)acetonitrile is 161.04768 g/mol.
Where can I buy 2-(3-Formylphenoxy)acetonitrile?
You can request a quote for 2-(3-Formylphenoxy)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Formylphenoxy)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(3-Formylphenoxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.