邻苯二甲酸单异羟肟酸
TL;DR: 邻苯二甲酸单异羟肟酸 (CAS 17698-09-8) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二甲酸单异羟肟酸
2-(hydroxycarbamoyl)benzoic acid
Also Known As: o-Carboxybenzhydroxamic acid, Phthalmonohydroxamic acid, Phthalomonohydroxamic acid, 2-(hydroxycarbamoyl)benzoic acid, o-Carboxybenzohydroxamic acid
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 17698-09-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NO)C(=O)O |
| InChIKey | KHLCHQITTKZTBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二甲酸单异羟肟酸 (CAS 17698-09-8), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: 2-(hydroxycarbamoyl)benzoic acid.
Chemical Property Profile of 邻苯二甲酸单异羟肟酸
Property Insights of 邻苯二甲酸单异羟肟酸
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻苯二甲酸单异羟肟酸. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻苯二甲酸单异羟肟酸. Following Lipinski's Rule of Five, 邻苯二甲酸单异羟肟酸 has 3 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 邻苯二甲酸单异羟肟酸?
The CAS number of 邻苯二甲酸单异羟肟酸 is 17698-09-8.
What is the molecular formula of 邻苯二甲酸单异羟肟酸?
The molecular formula of 邻苯二甲酸单异羟肟酸 is C8H7NO4.
What is the molecular weight of 邻苯二甲酸单异羟肟酸?
The molecular weight of 邻苯二甲酸单异羟肟酸 is 181.04 g/mol.
Where can I buy 邻苯二甲酸单异羟肟酸?
You can request a quote for 邻苯二甲酸单异羟肟酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸单异羟肟酸?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸单异羟肟酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.