Cas no 5466-50-2 ( )
structure
Product Name:
CAS No:5466-50-2
MF:C10H6N2O4
MW:218.165642261505
CID:942452
PubChem ID:230832
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-nitroquinoline-4-carboxylic acid
- 3-Nitro-chinolin-4-carbonsaeure
- 3-Nitro-cinchoninsaeure
- 3-nitro-quinoline-4-carboxylic acid
- AC1L5KDY
- AC1Q1YAN
- AG-J-10597
- AR-1F4691
- CTK5A2170
- NSC26138
- SureCN8569505
- 5466-50-2
- SCHEMBL8569505
- DTXSID90282499
- NSC-26138
- 3-nitrocinchoninic acid
-
-
- Inchi: 1S/C10H6N2O4/c13-10(14)9-6-3-1-2-4-7(6)11-5-8(9)12(15)16/h1-5H,(H,13,14)
- InChI Key: MCPRYTVBUDRKJB-UHFFFAOYSA-N
- SMILES: OC(C1C(=CN=C2C=CC=CC=12)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 218.03278
- Monoisotopic Mass: 218.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 302
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 96?2
Experimental Properties
- Density: 1.545
- Boiling Point: 409.1°C at 760 mmHg
- Flash Point: 201.2°C
- Refractive Index: 1.718
- PSA: 93.33
Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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