Cas no 5456-76-8 (1-Propanone,1-(5-nitro-2-furanyl)-)
5456-76-8 structure
Product Name:1-Propanone,1-(5-nitro-2-furanyl)-
1-Propanone,1-(5-nitro-2-furanyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,1-(5-nitro-2-furanyl)-
- 1-(5-nitrofuran-2-yl)propan-1-one
- 1-(5-Nitro-[2]furyl)-propan-1-on
- 1-(5-nitro-[2]furyl)-propan-1-one
- 1-(5-nitro-furan-2-yl)-propan-1-one
- 2-nitro-5-furyl ethyl ketone
- 5-Nitro-2-propionylfuran
- AC1L5GC1
- AC1Q5G23
- Aethyl-< 5-nitro-furyl-(2)> -keton
- AR-1B2464
- CTK5A1697
- Ethyl-2-(5-nitrofuryl)-keton
- KST-1B6593
- NSC21606
- DTXSID00281418
- NSC-21606
- 2-propionyl-5-nitrofuran
- SCHEMBL11455980
- 5456-76-8
-
- Inchi： 1S/C7H7NO4/c1-2-5(9)6-3-4-7(12-6)8(10)11/h3-4H,2H2,1H3
- InChI Key： NRWHTLRPNZTGJQ-UHFFFAOYSA-N
- SMILES： O1C(=CC=C1C(CC)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 169.03751
- Monoisotopic Mass: 169.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 198
- 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: 1.6
- Topological Polar Surface Area: 76?2
Experimental Properties
- Density: 1.28
- Boiling Point: 241.7°C at 760 mmHg
- Flash Point: 100°C
- Refractive Index: 1.513
- PSA: 73.35
- LogP: 2.30370
1-Propanone,1-(5-nitro-2-furanyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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