2-Propanone, 1-nitro-
TL;DR: 2-Propanone, 1-nitro- (CAS 10230-68-9) is a chemical compound with molecular formula C3H5NO3 and molecular weight 103.02694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitropropan-2-one
Also Known As: 1-nitropropan-2-one, Nitroacetone, 2-Propanone, 1-nitro-, 1-Nitro-2-propanone, Nitropropanone
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5NO3 |
| Molecular Weight | 103.02694 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 103.02694 Da |
| Heavy Atoms | 7 |
| Complexity | 92.0 |
| SMILES | CC(=O)C[N+](=O)[O-] |
| InChIKey | QCDJOJKIHZQJGX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propanone, 1-nitro-
Property Insights of 2-Propanone, 1-nitro-
The XLogP value of -0.1 indicates that 2-Propanone, 1-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1-nitro-. Following Lipinski's Rule of Five, 2-Propanone, 1-nitro- 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-Propanone, 1-nitro-?
The CAS number of 2-Propanone, 1-nitro- is 10230-68-9.
What is the molecular formula of 2-Propanone, 1-nitro-?
The molecular formula of 2-Propanone, 1-nitro- is C3H5NO3.
What is the molecular weight of 2-Propanone, 1-nitro-?
The molecular weight of 2-Propanone, 1-nitro- is 103.02694 g/mol.
Where can I buy 2-Propanone, 1-nitro-?
You can request a quote for 2-Propanone, 1-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propanone, 1-nitro-?
Yes, CoreyChem provides custom synthesis services for 2-Propanone, 1-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.