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CAS No.: | 849052-26-2 |
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Name: | Cyclobutylboronic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C4H9BO2 |
Molecular Weight: | 99.9253 |
Synonyms: | Boronicacid, cyclobutyl- (9CI);Cyclobutylboronic acid; |
EINECS: | 200-258-5 |
Density: | 1.06 g/cm3 |
Melting Point: | 118-123 °C(lit.) |
Boiling Point: | 218.7 °C at 760 mmHg |
Flash Point: | 86.1 °C |
PSA: | 40.46000 |
LogP: | 0.01330 |
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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