1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-
TL;DR: 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro- (CAS 80960-26-5) is a chemical compound with molecular formula C9H5NO6 and molecular weight 223.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dihydroxy-4-nitroindene-1,3-dione
Also Known As: 2,2-dihydroxy-4-nitroindene-1,3-dione, 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-, 2,2-dihydoxy-4-nitro-2H-inden-1,3-dione, 2,2-dihydroxy-4-nitro-2H-inden-1,3-dione, 2,2-dihydroxy-4-nitro-1H-indene-1,3(2H)-dione
| Molecular Formula | C9H5NO6 |
|---|---|
| Molecular Weight | 223.01 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.01169 |
| Heavy Atoms | 16 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 80960-26-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C(C2=O)(O)O |
| InChIKey | KWUIGWLZVAPWQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro- (CAS 80960-26-5), with molecular formula C9H5NO6 and molecular weight 223.01 g/mol. IUPAC: 2,2-dihydroxy-4-nitroindene-1,3-dione.
Chemical Property Profile of 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-
Property Insights of 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-
The XLogP value of -0.1 indicates that 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-. Following Lipinski's Rule of Five, 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro- has 2 hydrogen bond donor(s) and 6 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 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-?
The CAS number of 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro- is 80960-26-5.
What is the molecular formula of 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-?
The molecular formula of 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro- is C9H5NO6.
What is the molecular weight of 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-?
The molecular weight of 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro- is 223.01 g/mol.
Where can I buy 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-?
You can request a quote for 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.