1-Hydroxyiminopentane-2,4-dione
TL;DR: 1-Hydroxyiminopentane-2,4-dione (CAS 116974-90-4) is a chemical compound with molecular formula C5H7NO3 and molecular weight 129.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxyiminopentane-2,4-dione
Also Known As: 1-hydroxyiminopentane-2,4-dione, N-hydroxyiminoacetyl acetone, Pentanal, 2,4-dioxo-, 1-oxime (9CI)
Technical Specifications
| Molecular Formula | C5H7NO3 |
| Molecular Weight | 129.04259 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 66.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.04259 Da |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
| SMILES | CC(=O)CC(=O)C=NO |
| InChIKey | OITKKQRDTSSDDL-UHFFFAOYSA-N |
Chemical Property Profile of 1-Hydroxyiminopentane-2,4-dione
Property Insights of 1-Hydroxyiminopentane-2,4-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxyiminopentane-2,4-dione. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxyiminopentane-2,4-dione. Following Lipinski's Rule of Five, 1-Hydroxyiminopentane-2,4-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Hydroxyiminopentane-2,4-dione?
The CAS number of 1-Hydroxyiminopentane-2,4-dione is 116974-90-4.
What is the molecular formula of 1-Hydroxyiminopentane-2,4-dione?
The molecular formula of 1-Hydroxyiminopentane-2,4-dione is C5H7NO3.
What is the molecular weight of 1-Hydroxyiminopentane-2,4-dione?
The molecular weight of 1-Hydroxyiminopentane-2,4-dione is 129.04259 g/mol.
Where can I buy 1-Hydroxyiminopentane-2,4-dione?
You can request a quote for 1-Hydroxyiminopentane-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Hydroxyiminopentane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 1-Hydroxyiminopentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.