2-(2-Oxopropoxy)benzonitrile
TL;DR: 2-(2-Oxopropoxy)benzonitrile (CAS 49615-91-0) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxopropoxy)benzonitrile
Also Known As: 2-(2-oxopropoxy)benzonitrile, 2-acetonyloxybenzonitrile, o-Cyanphenol-acetonylaether, Benzonitrile, 2-(2-oxopropoxy)-
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.52608 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 352.18753 |
Chemical Identifiers
| CAS Number | 49615-91-0 |
|---|---|
| SMILES | CC(=O)COC1=CC=CC=C1C#N |
Product Overview
2-(2-Oxopropoxy)benzonitrile (CAS 49615-91-0), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 2-(2-oxopropoxy)benzonitrile.
Chemical Property Profile of 2-(2-Oxopropoxy)benzonitrile
Property Insights of 2-(2-Oxopropoxy)benzonitrile
The XLogP value of 1.52608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Oxopropoxy)benzonitrile. With a topological polar surface area (TPSA) of 50.09 Ų, 2-(2-Oxopropoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Oxopropoxy)benzonitrile 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
Frequently Asked Questions
What is the CAS number of 2-(2-Oxopropoxy)benzonitrile?
The CAS number of 2-(2-Oxopropoxy)benzonitrile is 49615-91-0.
What is the molecular formula of 2-(2-Oxopropoxy)benzonitrile?
The molecular formula of 2-(2-Oxopropoxy)benzonitrile is C10H9NO2.
What is the molecular weight of 2-(2-Oxopropoxy)benzonitrile?
The molecular weight of 2-(2-Oxopropoxy)benzonitrile is 175.06 g/mol.
Where can I buy 2-(2-Oxopropoxy)benzonitrile?
You can request a quote for 2-(2-Oxopropoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Oxopropoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Oxopropoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.