Nitric acid, 2-propen-1-yl ester
TL;DR: Nitric acid, 2-propen-1-yl ester (CAS 16770-74-4) is a chemical compound with molecular formula C3H5NO3 and molecular weight 103.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl nitrate
Also Known As: allyl nitrate, Prop-2-enyl Nitrate, 2-propenyl nitrate, prop-2-en-1-yl nitrate, Nitric acid, 2-propen-1-yl ester
| Molecular Formula | C3H5NO3 |
|---|---|
| Molecular Weight | 103.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 103.02694 |
| Heavy Atoms | 7 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 16770-74-4 |
|---|---|
| SMILES | C=CCO[N+](=O)[O-] |
| InChIKey | OTRMXXQNSIVZNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitric acid, 2-propen-1-yl ester (CAS 16770-74-4), with molecular formula C3H5NO3 and molecular weight 103.03 g/mol. IUPAC: prop-2-enyl nitrate.
Chemical Property Profile of Nitric acid, 2-propen-1-yl ester
Property Insights of Nitric acid, 2-propen-1-yl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitric acid, 2-propen-1-yl ester. With a topological polar surface area (TPSA) of 55.1 Ų, Nitric acid, 2-propen-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitric acid, 2-propen-1-yl ester 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
Frequently Asked Questions
What is the CAS number of Nitric acid, 2-propen-1-yl ester?
The CAS number of Nitric acid, 2-propen-1-yl ester is 16770-74-4.
What is the molecular formula of Nitric acid, 2-propen-1-yl ester?
The molecular formula of Nitric acid, 2-propen-1-yl ester is C3H5NO3.
What is the molecular weight of Nitric acid, 2-propen-1-yl ester?
The molecular weight of Nitric acid, 2-propen-1-yl ester is 103.03 g/mol.
Where can I buy Nitric acid, 2-propen-1-yl ester?
You can request a quote for Nitric acid, 2-propen-1-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitric acid, 2-propen-1-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Nitric acid, 2-propen-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.