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850411-07-3
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Basic Information
CAS No.: 850411-07-3
Name: [3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ACETIC ACID ETHYL ESTER
Molecular Structure:
Molecular Structure of 850411-07-3 ([3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ACETIC ACID ETHYL ESTER)
Formula: C16H23BO5
Molecular Weight: 306.167
Synonyms: Aceticacid, [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester(9CI);Ethyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate;3-(Ethoxycarbonyl)methoxyphenylboronic acid, pinacol ester;
Density: 1.09 g/cm3
Boiling Point: 405.1 °C at 760 mmHg
Flash Point: 198.8 °C
PSA: 53.99000
LogP: 1.92770
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Specification

The Acetic acid,2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester, with the CAS registry number 850411-07-3, is also known as 3-(Ethoxycarbonyl)methoxyphenylboronic acid, pinacol ester. It belongs to the product category of Heterocyclic Compounds. This chemical's molecular formula is C16H23BO5 and molecular weight is 306.16. What's more, its systematic name is ethyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate. 

Physical properties of Acetic acid,2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester are: (1)#H bond acceptors: 5; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 53.99 Å2; (5)Index of Refraction: 1.495; (6)Molar Refractivity: 81.57 cm3; (7)Molar Volume: 279.2 cm3; (8)Polarizability: 32.33×10-24cm3; (9)Surface Tension: 36.4 dyne/cm; (10)Density: 1.09 g/cm3; (11)Flash Point: 198.8 °C; (12)Enthalpy of Vaporization: 65.67 kJ/mol; (13)Boiling Point: 405.1 °C at 760 mmHg; (14)Vapour Pressure: 8.97E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCC(=O)OCC
(2)InChI: InChI=1S/C16H23BO5/c1-6-19-14(18)11-20-13-9-7-8-12(10-13)17-21-15(2,3)16(4,5)22-17/h7-10H,6,11H2,1-5H3
(3)InChIKey: IUEPWIKFOCKVEU-UHFFFAOYSA-N