4(3H)-Pyrimidinone,2-phenyl- supplier

Name
4-HYDROXY-2-PHENYLPYRIMIDINE
EINECS
CAS No. 33643-94-6
Article Data9
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point 204-206 °C(Solv: water (7732-18-5))
Formula C₁₀H₈N₂O
Boiling Point
Molecular Weight 172.186
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,2-phenyl- (9CI);2-Phenyl-4-hydroxypyrimidine;NSC 88808;
PSA 46.01000
LogP 1.84920

4(3H)-Pyrimidinone,2-phenyl- Specification

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

Product Name

4-HYDROXY-2-PHENYLPYRIMIDINE

4(3H)-Pyrimidinone,2-phenyl- Specification

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