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Name |
Benzoic acid,4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- |
EINECS | N/A |
CAS No. | 62729-39-9 | Density | 1.17 g/cm3 |
PSA | 55.76000 | LogP | 1.15300 |
Solubility | N/A | Melting Point |
236 °C |
Formula | C12H15BO4 | Boiling Point | 391.9 °C at 760 mmHg |
Molecular Weight | 234.06 | Flash Point | 190.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Carboxyphenylboronic acid; |
Article Data | 2 |
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