Acetic acid, (nitrooxy)-, ethyl ester
TL;DR: Acetic acid, (nitrooxy)-, ethyl ester (CAS 999-17-7) is a chemical compound with molecular formula C4H7NO5 and molecular weight 149.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-nitrooxyacetate
Also Known As: Ethyl 2-nitrooxyacetate, Ethyl (nitrooxy)acetate, Nitrooxyessigsaeureaethylester, Acetic acid, (nitrooxy)-, ethyl ester, (nitrooxy)-acetic acid ethyl ester
| Molecular Formula | C4H7NO5 |
|---|---|
| Molecular Weight | 149.03 g/mol |
| LogP | -0.2422 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 149.03242 |
| Heavy Atoms | 10 |
| Complexity | 133.60963 |
Chemical Identifiers
| CAS Number | 999-17-7 |
|---|---|
| SMILES | CCOC(=O)CO[N+](=O)[O-] |
Product Overview
Acetic acid, (nitrooxy)-, ethyl ester (CAS 999-17-7), with molecular formula C4H7NO5 and molecular weight 149.03 g/mol. IUPAC: ethyl 2-nitrooxyacetate.
Chemical Property Profile of Acetic acid, (nitrooxy)-, ethyl ester
Property Insights of Acetic acid, (nitrooxy)-, ethyl ester
The XLogP value of -0.2422 indicates that Acetic acid, (nitrooxy)-, ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (nitrooxy)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, (nitrooxy)-, ethyl ester has 0 hydrogen bond donor(s) and 5 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, (nitrooxy)-, ethyl ester?
The CAS number of Acetic acid, (nitrooxy)-, ethyl ester is 999-17-7.
What is the molecular formula of Acetic acid, (nitrooxy)-, ethyl ester?
The molecular formula of Acetic acid, (nitrooxy)-, ethyl ester is C4H7NO5.
What is the molecular weight of Acetic acid, (nitrooxy)-, ethyl ester?
The molecular weight of Acetic acid, (nitrooxy)-, ethyl ester is 149.03 g/mol.
Where can I buy Acetic acid, (nitrooxy)-, ethyl ester?
You can request a quote for Acetic acid, (nitrooxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (nitrooxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (nitrooxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.