Cas no 67208-09-7 (3,7-Dihydro-1H-purine-2,6-dione, monopotassium salt)
67208-09-7 structure
Product Name:3,7-Dihydro-1H-purine-2,6-dione, monopotassium salt
CAS No:67208-09-7
MF:C5H3KN4O2
MW:190.201220750809
CID:965537
Update Time:2023-08-02
3,7-Dihydro-1H-purine-2,6-dione, monopotassium salt Chemical and Physical Properties
Names and Identifiers
-
- 3,7-dihydro-1H-purine-2,6-dione, monopotassium salt
- potassium,3H-purin-7-ide-2,6-dione
- potassium 6-oxo-6,7-dihydro-3H-purin-2-olate
- 3,7-Dihydro-1H-purine-2,6-dione, monopotassium salt
-
- Inchi： 1S/C5H4N4O2.K/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1/p-1
- InChI Key： VWBWAALEWBNEIR-UHFFFAOYSA-M
- SMILES： [K+].O=C1C2=C(N=C[N-]2)NC(N1)=O
Computed Properties
- Exact Mass: 189.989307
- Monoisotopic Mass: 189.989307
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 222
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 72.1
Experimental Properties
- Boiling Point: 648.6°C at 760 mmHg
- Flash Point: 346.1°C
3,7-Dihydro-1H-purine-2,6-dione, monopotassium salt Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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