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| CAS No.: | 134434-28-9 |
|---|---|
| Name: | PYRAZINE-2,5-DIOL |
| Molecular Structure: | |
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| Formula: | C4H4N2O2 |
| Molecular Weight: | 112.09 |
| Synonyms: | Pyrazine-2, 5-diol; |
| Density: | 1.54 g/cm3 |
| Boiling Point: | 538.8 °C at 760 mmHg |
| Flash Point: | 279.7 °C |
| PSA: | 66.24000 |
| LogP: | -0.11220 |
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Specification
The 2, 5-Pyrazinediol has CAS registry number 134434-28-9. This chemical's molecular formula is C4H4N2O2 and molecular weight is 112.09. What's more, its systematic name is Pyrazine-2, 5-diol.
Physical properties about 2, 5-Pyrazinediol are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.28; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 66.24 Å2; (10)Index of Refraction: 1.639; (11)Molar Refractivity: 26.19 cm3; (12)Molar Volume: 72.7 cm3; (13)Polarizability: 10.38×10-24 cm3; (14)Surface Tension: 92.5 dyne/cm; (15)Density: 1.54 g/cm3; (16)Flash Point: 279.7 °C; (17)Enthalpy of Vaporization: 84.67 kJ/mol; (18)Boiling Point: 538.8 °C at 760 mmHg; (19)Vapour Pressure: 3.18E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cnc(O)cn1
(2) InChI: InChI=1/C4H4N2O2/c7-3-1-5-4(8)2-6-3/h1-2H,(H,5,8)(H,6,7)
(3) InChIKey: USHRADXTTYICIJ-UHFFFAOYAY