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CAS No.: | 4774-34-9 |
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Name: | 4-HYDROXYPYRIMIDINE-5-CARBONITRILE |
Molecular Structure: | |
Formula: | C5H3N3 |
Molecular Weight: | 121.098 |
Synonyms: | 5-Pyrimidinecarbonitrile,1,4-dihydro-4-oxo- (9CI);5-Pyrimidinecarbonitrile, 4-hydroxy- (7CI,8CI); |
Density: | 1.45 g/cm3 |
Melting Point: | 244-249°C |
Boiling Point: | 334.5 °C at 760 mmHg |
Flash Point: | 156.1 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-36 |
PSA: | 69.80000 |
LogP: | 0.05388 |
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This chemical is called 4-Hydroxypyrimidine-5-carbonitrile, and its CAS registry number is 4774-34-9. With the molecular formula of C5H3N3O, its molecular weight is 121.10. Additionally, its product category is Pyrimidine.
Other characteristics of the 4-Hydroxypyrimidine-5-carbonitrile can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 69.8 Å2; (9)Index of Refraction: 1.601; (10)Molar Refractivity: 28.44 cm3; (11)Molar Volume: 83 cm3; (12)Polarizability: 11.27×10-24cm3; (13)Surface Tension: 95.2 dyne/cm; (14)Density: 1.45 g/cm3; (15)Flash Point: 156.1 °C; (16)Enthalpy of Vaporization: 60.04 kJ/mol; (17)Boiling Point: 334.5 °C at 760 mmHg; (18)Vapour Pressure: 6.55E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc1ncncc1C#N
2.InChI: InChI=1/C5H3N3O/c6-1-4-2-7-3-8-5(4)9/h2-3H,(H,7,8,9)
3.InChIKey: SVOQOFSQLVVHKQ-UHFFFAOYAB