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CAS No.: | 373384-19-1 |
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Name: | (1,2-dihydro-2-oxo-5-Pyrimidinyl)-boronic acid |
Molecular Structure: | |
Formula: | C4H5BN2O3 |
Molecular Weight: | 139.906 |
Synonyms: | (2-Hydroxypyrimidin-5-yl)boronic acid;(2-Oxo-1,2-dihydropyrimidin-5-yl)boronic acid;Boronic acid, B-(1,2-dihydro-2-oxo-5-pyrimidinyl)-;Boronic acid, B-(2-hydroxy-5-pyrimidinyl)-; |
Density: | 1.55 g/cm3 |
Boiling Point: | 530 °C at 760 mmHg |
Flash Point: | 274.3 °C |
PSA: | 86.21000 |
LogP: | -2.55030 |
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The CAS registry number of Boronicacid,(1,2-dihydro-2-oxo-5-pyrimidinyl)-(9CI) is 373384-19-1. The systematic name is (2-hydroxypyrimidin-5-yl)boronic acid. In addition, the molecular formula is C4H5BN2O3 and the molecular weight is 139.91. It belongs to the classes of Boronicacid and Pyrimidine.
Physical properties about Boronicacid,(1,2-dihydro-2-oxo-5-pyrimidinyl)-(9CI) are: (1) ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 86.47 Å2; (9)Index of Refraction: 1.59; (10)Molar Refractivity: 30.41 cm3; (11)Molar Volume: 90 cm3; (12)Polarizability: 12.05 ×10-24cm3; (13)Surface Tension: 90.7 dyne/cm; (14)Density: 1.55 g/cm3; (15)Flash Point: 274.3 °C; (16)Enthalpy of Vaporization: 84.75 kJ/mol; (17)Boiling Point: 530 °C at 760 mmHg; (18)Vapour Pressure: 4.63E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cnc(O)nc1
(2)InChI: InChI=1/C4H5BN2O3/c8-4-6-1-3(2-7-4)5(9)10/h1-2,9-10H,(H,6,7,8)
(3)InChIKey: CUMUXKDXPIIDJE-UHFFFAOYAV