Cas no 3030-60-2 (1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-propenyl)-)
3030-60-2 structure
Product Name:1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-propenyl)-
CAS No:3030-60-2
MF:C6H7N3O3
MW:169.138080835342
CID:293098
PubChem ID:22250746
Update Time:2025-04-19
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-propenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-propenyl)-
- 1-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
- SCHEMBL181982
- DTXSID50623884
- 3030-60-2
- 1-(Prop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione
-
- Inchi： 1S/C6H7N3O3/c1-2-3-9-5(11)7-4(10)8-6(9)12/h2H,1,3H2,(H2,7,8,10,11,12)
- InChI Key： KLUMROWVGFRESW-UHFFFAOYSA-N
- SMILES： O=C1NC(NC(N1CC=C)=O)=O
Computed Properties
- Exact Mass: 169.04881
- Monoisotopic Mass: 169.04874109g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 241
- 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: -0.3
- Topological Polar Surface Area: 78.5?2
Experimental Properties
- PSA: 78.51
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-propenyl)- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
3030-60-2 (1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-propenyl)-) Related Products
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