1H-Indene-1,3(2H)-dione, 2-nitro-
TL;DR: 1H-Indene-1,3(2H)-dione, 2-nitro- (CAS 3674-33-7) is a chemical compound with molecular formula C9H5NO4 and molecular weight 191.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitroindene-1,3-dione
Also Known As: 2-Nitro-1,3-indandione, 2-Nitro-1H-indene-1,3(2H)-dione, 2-Nitroindanedione, 2-Nitro-1,3-indanedione, 2-nitroindene-1,3-dione
| Molecular Formula | C9H5NO4 |
|---|---|
| Molecular Weight | 191.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.02185 |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 3674-33-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)[N+](=O)[O-] |
| InChIKey | CJGMVHVKJXBIDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indene-1,3(2H)-dione, 2-nitro- (CAS 3674-33-7), with molecular formula C9H5NO4 and molecular weight 191.02 g/mol. IUPAC: 2-nitroindene-1,3-dione.
Chemical Property Profile of 1H-Indene-1,3(2H)-dione, 2-nitro-
Property Insights of 1H-Indene-1,3(2H)-dione, 2-nitro-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indene-1,3(2H)-dione, 2-nitro-. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indene-1,3(2H)-dione, 2-nitro-. Following Lipinski's Rule of Five, 1H-Indene-1,3(2H)-dione, 2-nitro- has 0 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 1H-Indene-1,3(2H)-dione, 2-nitro-?
The CAS number of 1H-Indene-1,3(2H)-dione, 2-nitro- is 3674-33-7.
What is the molecular formula of 1H-Indene-1,3(2H)-dione, 2-nitro-?
The molecular formula of 1H-Indene-1,3(2H)-dione, 2-nitro- is C9H5NO4.
What is the molecular weight of 1H-Indene-1,3(2H)-dione, 2-nitro-?
The molecular weight of 1H-Indene-1,3(2H)-dione, 2-nitro- is 191.02 g/mol.
Where can I buy 1H-Indene-1,3(2H)-dione, 2-nitro-?
You can request a quote for 1H-Indene-1,3(2H)-dione, 2-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-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-1,3(2H)-dione, 2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.