Specification: |
The 2-Methylfurane-5-boronic acid pinacol ester, with cas registry number 338998-93-9, has the systematic name of 4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane. And the chemical formula of this chemical is C11H17BO3.
Physical properties about this chemical are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 31.6 Å2; (5)Index of Refraction: 1.468; (6)Molar Refractivity: 56.56 cm3; (7)Molar Volume: 203.4 cm3; (8)Polarizability: 22.42×10-24cm3; (9)Surface Tension: 29.7 dyne/cm; (10)Enthalpy of Vaporization: 49.56 kJ/mol; (11)Vapour Pressure: 0.00748 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2oc(cc2)C
(2)InChI: InChI=1/C11H17BO3/c1-8-6-7-9(13-8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3
(3)InChIKey: FNPZFZKLYGWKLH-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H17BO3/c1-8-6-7-9(13-8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3
(5)Std. InChIKey: FNPZFZKLYGWKLH-UHFFFAOYSA-N
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