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254892-99-4

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Basic Information
CAS No.: 254892-99-4
Name: 3-(4-BORONOPHENYL)CYCLOBUTANONE ETHYLENE KETAL
Article Data: 1
Molecular Structure:
Molecular Structure of 254892-99-4 (3-(4-BORONOPHENYL)CYCLOBUTANONE ETHYLENE KETAL)
Formula: C12H15BO4
Molecular Weight: 234.06
Synonyms: 3-(4-Dihydroxyborylphenyl)cyclobutanoneethylene ketal;
Density: 1.29 g/cm3
Boiling Point: 419.5 °C at 760 mmHg
Flash Point: 207.5 °C
Hazard Symbols: IrritantXi
PSA: 58.92000
LogP: -0.01310
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Specification

The Boronic acid,[4-(5,8-dioxaspiro[3.4]oct-2-yl)phenyl]- (9CI) is an organic compound with the formula C12H15BO4. The systematic name of this chemical is [4-(5,8-dioxaspiro[3.4]oct-2-yl)phenyl]boronic acid. With the CAS registry number 254892-99-4, it is also named as 3-(4-Boronophenyl)cyclobutanone ethylene ketal.

Physical properties about Boronic acid,[4-(5,8-dioxaspiro[3.4]oct-2-yl)phenyl]- (9CI) are: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 5.5): 1.33; (3)ACD/LogD (pH 7.4): 1.3; (4)ACD/BCF (pH 5.5): 5.99; (5)ACD/BCF (pH 7.4): 5.7; (6)ACD/KOC (pH 5.5): 125.37; (7)ACD/KOC (pH 7.4): 119.22; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 36.92 Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 60.45 cm3; (14)Molar Volume: 181.2 cm3; (15)Polarizability: 23.96×10-24cm3; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 207.5 °C; (19)Enthalpy of Vaporization: 70.98 kJ/mol; (20)Boiling Point: 419.5 °C at 760 mmHg; (21)Vapour Pressure: 8.66E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1C3(OCC1)CC(c2ccc(B(O)O)cc2)C3
(2)InChI: InChI=1/C12H15BO4/c14-13(15)11-3-1-9(2-4-11)10-7-12(8-10)16-5-6-17-12/h1-4,10,14-15H,5-8H2
(3)InChIKey: FZICXFYHRSMPIV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H15BO4/c14-13(15)11-3-1-9(2-4-11)10-7-12(8-10)16-5-6-17-12/h1-4,10,14-15H,5-8H2
(5)Std. InChIKey: FZICXFYHRSMPIV-UHFFFAOYSA-N