2-Propanone, 1-(nitrooxy)-
TL;DR: 2-Propanone, 1-(nitrooxy)- (CAS 6745-71-7) is a chemical compound with molecular formula C3H5NO4 and molecular weight 119.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxopropyl nitrate
Also Known As: nitroxyacetone, 2-oxopropyl nitrate, 2-Propanone, 1-(nitrooxy)-, Propanone nitrate, 2-Propanone-1-ylnitrate
| Molecular Formula | C3H5NO4 |
|---|---|
| Molecular Weight | 119.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.02186 |
| Heavy Atoms | 8 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 6745-71-7 |
|---|---|
| SMILES | CC(=O)CO[N+](=O)[O-] |
| InChIKey | ISWXYJQANHQYSR-UHFFFAOYSA-N |
Product Overview
2-Propanone, 1-(nitrooxy)- (CAS 6745-71-7), with molecular formula C3H5NO4 and molecular weight 119.02 g/mol. IUPAC: 2-oxopropyl nitrate.
Chemical Property Profile of 2-Propanone, 1-(nitrooxy)-
Property Insights of 2-Propanone, 1-(nitrooxy)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1-(nitrooxy)-. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1-(nitrooxy)-. Following Lipinski's Rule of Five, 2-Propanone, 1-(nitrooxy)- 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
Frequently Asked Questions
What is the CAS number of 2-Propanone, 1-(nitrooxy)-?
The CAS number of 2-Propanone, 1-(nitrooxy)- is 6745-71-7.
What is the molecular formula of 2-Propanone, 1-(nitrooxy)-?
The molecular formula of 2-Propanone, 1-(nitrooxy)- is C3H5NO4.
What is the molecular weight of 2-Propanone, 1-(nitrooxy)-?
The molecular weight of 2-Propanone, 1-(nitrooxy)- is 119.02 g/mol.
Where can I buy 2-Propanone, 1-(nitrooxy)-?
You can request a quote for 2-Propanone, 1-(nitrooxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-(nitrooxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-(nitrooxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.