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62729-39-9

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Basic Information
CAS No.: 62729-39-9
Name: 4-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 62729-39-9 (4-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZOIC ACID)
Formula: C12H15BO4
Molecular Weight: 234.06
Synonyms: 4-Carboxyphenylboronic acid;
Density: 1.17 g/cm3
Melting Point: 236 °C
Boiling Point: 391.9 °C at 760 mmHg
Flash Point: 190.8 °C
PSA: 55.76000
LogP: 1.15300
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Specification

The Benzoic acid, 4-(5, 5-dimethyl-1, 3, 2-dioxaborinan-2-yl)-, with the CAS registry number of 62729-39-9, is also known as 4-Carboxyphenylboronic acid and Neopentyl glycol cyclic ester. This chemical's molecular formula is C12H15BO4 and molecular weight is 234.06. What's more, its systematic name is called 4-(5, 5-Dimethyl-1, 3, 2-dioxaborinan-2-yl)benzoic acid.

Physical properties about are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 55.76 Å2; (5)Index of Refraction: 1.526; (6)Molar Refractivity: 61.09 cm3; (7)Molar Volume: 198.9 cm3; (8)Polarizability: 24.22×10-24 cm3; (9)Surface Tension: 41.8 dyne/cm; (10)Density: 1.17 g/cm3; (11)Flash Point: 190.8 °C; (12)Enthalpy of Vaporization: 67.66 kJ/mol; (13)Boiling Point: 391.9 °C at 760 mmHg; (14)Vapour Pressure: 7.62E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: B1(OCC(CO1)(C)C)c2ccc(cc2)C(=O)O
(2) InChI: InChI=1/C12H15BO4/c1-12(2)7-16-13(17-8-12)10-5-3-9(4-6-10)11(14)15/h3-6H,7-8H2,1-2H3,(H,14,15)
(3) InChIKey: IGZPAPRBHZGJHV-UHFFFAOYAF