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Cyclobutylboronic acid

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Name

Cyclobutylboronic acid

EINECS 200-258-5
CAS No. 849052-26-2 Density 1.06 g/cm3
PSA 40.46000 LogP 0.01330
Solubility N/A Melting Point 118-123 °C(lit.)
Formula C4H9BO2 Boiling Point 218.7 °C at 760 mmHg
Molecular Weight 99.9253 Flash Point 86.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 849052-26-2 (Cyclobutylboronic acid) Hazard Symbols N/A
Synonyms

Boronicacid, cyclobutyl- (9CI);Cyclobutylboronic acid;

Article Data 1

Cyclobutylboronic acid Specification

The CAS register number of Cyclobutylboronic acid is 849052-26-2. The systematic name about this chemical is cyclobutylboronic acid. The molecular formula about this chemical is C4H9BO2 and the molecular weight is 99.92426. It belongs to the following product categories which include blocks; BoronicAcids; Alkyl; Boronic Acids; Boronic Acids and Derivatives and so on.

Physical properties about Cyclobutylboronic acid are: (1)D/LogP: 0.77; (2)ACD/LogD (pH 5.5): 0.77; (3)ACD/LogD (pH 7.4): 0.77; (4)ACD/BCF (pH 5.5): 2.26; (5)ACD/BCF (pH 7.4): 2.26; (6)ACD/KOC (pH 5.5): 62.35; (7)ACD/KOC (pH 7.4): 62.3; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 40.46 Å2; (12)Index of Refraction: 1.446; (13)Molar Refractivity: 25.03 cm3; (14)Molar Volume: 93.7 cm3; (15)Polarizability: 9.92x10-24cm3; (16)Surface Tension: 34.1 dyne/cm; (17)Density: 1.06 g/cm3; (18)Flash Point: 86.1 °C; (19)Enthalpy of Vaporization: 52.93 kJ/mol; (20)Boiling Point: 218.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0262 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)C1CCC1
(2)InChI: InChI=1/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2
(3)InChIKey: MIUALDDWOKMYDA-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2
(5)Std. InChIKey: MIUALDDWOKMYDA-UHFFFAOYSA-N

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