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CAS No.: | 33643-94-6 |
---|---|
Name: | 4-HYDROXY-2-PHENYLPYRIMIDINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H8N2O |
Molecular Weight: | 172.186 |
Synonyms: | 4(1H)-Pyrimidinone,2-phenyl- (9CI);2-Phenyl-4-hydroxypyrimidine;NSC 88808; |
Density: | 1.2 g/cm3 |
Melting Point: | 204-206 °C(Solv: water (7732-18-5)) |
PSA: | 46.01000 |
LogP: | 1.84920 |
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The 4(3H)-Pyrimidinone,2-phenyl-, with the CAS registry number 33643-94-6, is also known as 4-Pyrimidinol, 2-phenyl-. This chemical's molecular formula is C10H8N2O and molecular weight is 172.18. What's more, its systematic name is called 2-Phenylpyrimidin-4(3H)-one.
Physical properties about 4(3H)-Pyrimidinone,2-phenyl- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 3.28; (6)ACD/BCF (pH 7.4): 3.01; (7)ACD/KOC (pH 5.5): 81.43; (8)ACD/KOC (pH 7.4): 74.81; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1 ; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 50.49 cm3; (15)Molar Volume: 143.1 cm3; (16)Surface Tension: 47.5 dyne/cm; (17)Density: 1.2 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/C=C\N=C(\c1ccccc1)N2
(2) InChI: InChI=1/C10H8N2O/c13-9-6-7-11-10(12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
(3) InChIKey: JJXBLRJIMBFLMY-UHFFFAOYAX