![Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester structure](/static/images/no-structure.svg)
Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester
TL;DR: Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester (CAS 302606-04-8) is a chemical compound with molecular formula C14H11NO6 and molecular weight 289.05862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(nitrooxymethyl)phenyl] 2-hydroxybenzoate
Also Known As: [3-(nitrooxymethyl)phenyl] 2-hydroxybenzoate|Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester|J1.359.996C|3-[(NITROOXY)METHYL]PHENYL 2-HYDROXYBENZOATE|Nitric acid 3-(2-hydroxybenzoyloxy)benzyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H11NO6 |
| Molecular Weight | 289.05862 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.05862 Da |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-])O |
| InChIKey | MKYGMVOKULQJBW-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester
Property Insights of Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester
The XLogP value of 4.0 indicates that Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester?
The CAS number of Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester is 302606-04-8.
What is the molecular formula of Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester?
The molecular formula of Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester is C14H11NO6.
What is the molecular weight of Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester?
The molecular weight of Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester is 289.05862 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester?
You can request a quote for Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.