2-Acetylbenzonitrile
TL;DR: 2-Acetylbenzonitrile (CAS 912468-84-9) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetylbenzonitrile
Also Known As: 2-acetylbenzonitrile, 2-acetylbenzenecarbonitrile, Benzonitrile, acetyl-, 2-Acetyl-benzonitrile, o-cyanoacetophenone
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 1.76088 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 322.57977 |
Chemical Identifiers
| CAS Number | 912468-84-9 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1C#N |
Product Overview
2-Acetylbenzonitrile (CAS 912468-84-9), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 2-acetylbenzonitrile.
Chemical Property Profile of 2-Acetylbenzonitrile
Property Insights of 2-Acetylbenzonitrile
The XLogP value of 1.76088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylbenzonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 2-Acetylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylbenzonitrile has 0 hydrogen bond donor(s) and 2 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-Acetylbenzonitrile?
The CAS number of 2-Acetylbenzonitrile is 912468-84-9.
What is the molecular formula of 2-Acetylbenzonitrile?
The molecular formula of 2-Acetylbenzonitrile is C9H7NO.
What is the molecular weight of 2-Acetylbenzonitrile?
The molecular weight of 2-Acetylbenzonitrile is 145.05 g/mol.
Where can I buy 2-Acetylbenzonitrile?
You can request a quote for 2-Acetylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.