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CAS No.: | 1072952-46-5 |
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Name: | TETRAHYDROPYRAN-4-BORONIC ACID |
Molecular Structure: | |
Formula: | C5H11BO3 |
Molecular Weight: | 129.95 |
Synonyms: | Boronic acid, B-(tetrahydro-2H-pyran-4-yl)-; |
Density: | 1.111 g/cm3 |
Boiling Point: | 279.74 °C at 760 mmHg |
Flash Point: | 122.983 °C |
PSA: | 49.69000 |
LogP: | -0.36020 |
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The B-(Tetrahydro-2H-pyran-4-yl)boronic acid, with the CAS registry number 1072952-46-5, is also known as Boronic acid, B-(tetrahydro-2H-pyran-4-yl)-. It belongs to the product categories of Organoborons; Pyran. This chemical's molecular formula is C5H11BO3 and molecular weight is 129.95. What's more, its systematic name is called Tetrahydro-2H-pyran-4-ylboronic acid.
Physical properties about B-(Tetrahydro-2H-pyran-4-yl)boronic acid are: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 19.26; (8)ACD/KOC (pH 7.4): 19.23; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 31.409 cm3; (15)Molar Volume: 116.928 cm3; (16)Polarizability: 12.451×10-24cm3; (17)Surface Tension: 36.321 dyne/cm; (18)Density: 1.111 g/cm3; (19)Flash Point: 122.983 °C; (20)Enthalpy of Vaporization: 60.177 kJ/mol; (21)Boiling Point: 279.74 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(C1CCOCC1)(O)O
(2) InChI: InChI=1S/C5H11BO3/c7-6(8)5-1-3-9-4-2-5/h5,7-8H,1-4H2
(3) InChIKey: PJAHYWURJMYDPM-UHFFFAOYSA-N