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CAS No.: | 475250-52-3 |
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Name: | 4-Methoxybenzylboronic acid pinacol ester |
Article Data: | 32 |
Molecular Structure: | |
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Formula: | C14H21BO3 |
Molecular Weight: | 248.13 |
Synonyms: | 4-Methoxybenzylboronic acid pinacol ester; |
Density: | 1.018 g/cm3 |
Boiling Point: | 311.191 °C at 760 mmHg |
Flash Point: | 142.003 °C |
PSA: | 27.69000 |
LogP: | 3.13550 |
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The CAS register number of 4-Methoxybenzylboronic acid pinacol ester is 475250-52-3. It also can be called as 1,3,2-Dioxaborolane,2-[(4-methoxyphenyl)methyl]-4,4,5,5-tetramethyl- and the systematic name about this chemical is 2-[(4-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. The molecular formula about this chemical is C14H21BO3 and the molecular weight is 248.13.
Physical properties about 4-Methoxybenzylboronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 3; (3)Polar Surface Area: 27.69Å2; (4)Index of Refraction: 1.49; (5)Molar Refractivity: 70.453 cm3; (6)Molar Volume: 243.689 cm3; (7)Polarizability: 27.93x10-24cm3; (8)Surface Tension: 32.213 dyne/cm; (9)Enthalpy of Vaporization: 53.007 kJ/mol; (10)Boiling Point: 311.191 °C at 760 mmHg; (11)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)Cc2ccc(cc2)OC
(2)InChI: InChI=1/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)10-11-6-8-12(16-5)9-7-11/h6-9H,10H2,1-5H3
(3)InChIKey: HPNLRRQVSZVKHY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)10-11-6-8-12(16-5)9-7-11/h6-9H,10H2,1-5H3
(5)Std. InChIKey: HPNLRRQVSZVKHY-UHFFFAOYSA-N