3-(2-Oxopropoxy)benzonitrile
TL;DR: 3-(2-Oxopropoxy)benzonitrile (CAS 18859-29-5) 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.
3-(2-oxopropoxy)benzonitrile
Also Known As: 3-(2-oxopropoxy)benzonitrile, 4-cyanophenoxyacetone, Benzonitrile, 3-(2-oxopropoxy)-, Benzonitrile,3-(2-oxopropoxy)-, (3,4-dimethylphenyl)hydrazine, hydrochloride
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 18859-29-5 |
|---|---|
| SMILES | CC(=O)COC1=CC=CC(=C1)C#N |
| InChIKey | YHPUXUWNZOKLJJ-UHFFFAOYSA-N |
Product Overview
3-(2-Oxopropoxy)benzonitrile (CAS 18859-29-5), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 3-(2-oxopropoxy)benzonitrile.
Chemical Property Profile of 3-(2-Oxopropoxy)benzonitrile
Property Insights of 3-(2-Oxopropoxy)benzonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxopropoxy)benzonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 3-(2-Oxopropoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(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 3-(2-Oxopropoxy)benzonitrile?
The CAS number of 3-(2-Oxopropoxy)benzonitrile is 18859-29-5.
What is the molecular formula of 3-(2-Oxopropoxy)benzonitrile?
The molecular formula of 3-(2-Oxopropoxy)benzonitrile is C10H9NO2.
What is the molecular weight of 3-(2-Oxopropoxy)benzonitrile?
The molecular weight of 3-(2-Oxopropoxy)benzonitrile is 175.06 g/mol.
Where can I buy 3-(2-Oxopropoxy)benzonitrile?
You can request a quote for 3-(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 3-(2-Oxopropoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxopropoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.