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CAS No.: | 875251-47-1 |
---|---|
Name: | 5-Pyrimidineethanol |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H8N2O |
Molecular Weight: | 124.142 |
Synonyms: | 2-(Pyrimidin-5-yl)ethanol; |
Density: | 1.169 g/cm3 |
Boiling Point: | 251.756 °C at 760 mmHg |
Flash Point: | 106.058 °C |
PSA: | 46.01000 |
LogP: | 0.01140 |
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The 5-Pyrimidineethanol, with the CAS registry number 875251-47-1, is also known as 2-(Pyrimidin-5-yl)ethanol. This chemical's molecular formula is C6H8N2O and molecular weight is 124.14052. What's more, its IUPAC name is 2-Pyrimidin-5-ylethanol.
Physical properties about 5-Pyrimidineethanol are: (1)ACD/LogP: -1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5; (6)ACD/KOC (pH 7.4): 5; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.01 Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 33.52 cm3; (13)Molar Volume: 106.204 cm3; (14)Polarizability: 13.288×10-24 cm3; (15)Surface Tension: 54.752 dyne/cm; (16)Density: 1.169 g/cm3; (17)Flash Point: 106.058 °C; (18)Enthalpy of Vaporization: 51.677 kJ/mol; (19)Boiling Point: 251.756 °C at 760 mmHg; (20)Vapour Pressure: 0.011 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCc1cncnc1
(2) InChI: InChI=1/C6H8N2O/c9-2-1-6-3-7-5-8-4-6/h3-5,9H,1-2H2
(3) InChIKey: DEMNOIPKWUBEAZ-UHFFFAOYAG