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1049004-32-1

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Basic Information
CAS No.: 1049004-32-1
Name: 4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID ETHYL ESTER
Article Data: 32
Molecular Structure:
Molecular Structure of 1049004-32-1 (4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID ETHYL ESTER)
Formula: C15H25BO4
Molecular Weight: 280.172
Synonyms: 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester;Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate;
Density: 1.0±0.1 g/cm3
Boiling Point: 312.6±52.0 °C at 760 mmHg
Flash Point: 142.8±30.7 °C
PSA: 44.76000
LogP: 2.90740
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Specification

The 1-Ethoxycarbonylcyclohex-3-ene-4-boronic acid pinacol ester, with the CAS registry number 1049004-32-1, is also known as 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester. This chemical's molecular formula is C15H25BO4 and molecular weight is 280.17. What's more, its systematic name is Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-cyclohexene-1-carboxylate. 

Physical properties of 1-Ethoxycarbonylcyclohex-3-ene-4-boronic acid pinacol ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 44.76 Å2; (5)Index of Refraction: 1.473; (6)Molar Refractivity: 75.9±0.4 cm3; (7)Molar Volume: 270.6±5.0 cm3; (8)Polarizability: 30.1±0.5×10-24cm3; (9)Surface Tension: 32.6±5.0 dyne/cm; (10)Density: 1.0±0.1 g/cm3; (11)Flash Point: 142.8±30.7 °C; (12)Enthalpy of Vaporization: 55.4±3.0 kJ/mol; (13)Boiling Point: 312.6±52.0 °C at 760 mmHg; (14)Vapour Pressure: 0.0±0.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)C(=O)OCC
(2)Std. InChI: InChI=1S/C15H25BO4/c1-6-18-13(17)11-7-9-12(10-8-11)16-19-14(2,3)15(4,5)20-16/h9,11H,6-8,10H2,1-5H3
(3)Std. InChIKey: ZREZDODZGZVRBD-UHFFFAOYSA-N