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68121-32-4

Basic Information
CAS No.: 68121-32-4
Name: 4-Pyrimidineethanol (6CI,9CI)
Molecular Structure:
Molecular Structure of 68121-32-4 (4-Pyrimidineethanol (6CI,9CI))
Formula: C6H8N2O
Molecular Weight: 124.142
Synonyms: 2-(Pyrimidin-4-yl)ethanol;
EINECS: 604-604-1
Density: 1.168 g/cm3
Boiling Point: 251.8 °C at 760 mmHg
Flash Point: 106.1 °C
PSA: 46.01000
LogP: 0.01140
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Specification

The 4-Pyrimidineethanol, with the CAS registry number 68121-32-4, is also known as 2-(Pyrimidin-4-yl)ethanol. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H8N2O and molecular weight is 124.1405. What's more, its IUPAC name is 2-Pyrimidin-4-ylethanol. 

Physical properties about 4-Pyrimidineethanol 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): 5.35; (5)ACD/KOC (pH 7.4): 5.35; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 46.01 Å2; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 33.51 cm3; (12)Molar Volume: 106.2 cm3; (13)Polarizability: 13.28×10-24 cm3; (14)Surface Tension: 54.7 dyne/cm; (15)Density: 1.168 g/cm3; (16)Flash Point: 106.1 °C; (17)Enthalpy of Vaporization: 51.68 kJ/mol; (18)Boiling Point: 251.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0105 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCc1ccncn1
(2) InChI: InChI=1/C6H8N2O/c9-4-2-6-1-3-7-5-8-6/h1,3,5,9H,2,4H
(3) InChIKey: BOVUIYOURRNFKZ-UHFFFAOYAM