Acetic acid, 2-cyano-, anhydride with acetic acid
TL;DR: Acetic acid, 2-cyano-, anhydride with acetic acid (CAS 64992-14-9) is a chemical compound with molecular formula C5H5NO3 and molecular weight 127.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetyl 2-cyanoacetate
Also Known As: 2-cyanoacetyl acetate, acetyl 2-cyanoacetate, Cyanoacetic acid anhydride, acetic 2-cyanoacetic anhydride, acetic cyanoacetic anhydride
| Molecular Formula | C5H5NO3 |
|---|---|
| Molecular Weight | 127.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.02694 |
| Heavy Atoms | 9 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 64992-14-9 |
|---|---|
| SMILES | CC(=O)OC(=O)CC#N |
| InChIKey | JVRSBFYXWUIUNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-cyano-, anhydride with acetic acid (CAS 64992-14-9), with molecular formula C5H5NO3 and molecular weight 127.03 g/mol. IUPAC: acetyl 2-cyanoacetate.
Chemical Property Profile of Acetic acid, 2-cyano-, anhydride with acetic acid
Property Insights of Acetic acid, 2-cyano-, anhydride with acetic acid
The XLogP value of -0.2 indicates that Acetic acid, 2-cyano-, anhydride with acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-cyano-, anhydride with acetic acid. Following Lipinski's Rule of Five, Acetic acid, 2-cyano-, anhydride with acetic acid 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 Acetic acid, 2-cyano-, anhydride with acetic acid?
The CAS number of Acetic acid, 2-cyano-, anhydride with acetic acid is 64992-14-9.
What is the molecular formula of Acetic acid, 2-cyano-, anhydride with acetic acid?
The molecular formula of Acetic acid, 2-cyano-, anhydride with acetic acid is C5H5NO3.
What is the molecular weight of Acetic acid, 2-cyano-, anhydride with acetic acid?
The molecular weight of Acetic acid, 2-cyano-, anhydride with acetic acid is 127.03 g/mol.
Where can I buy Acetic acid, 2-cyano-, anhydride with acetic acid?
You can request a quote for Acetic acid, 2-cyano-, anhydride with acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-cyano-, anhydride with acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-cyano-, anhydride with acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.