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62306-80-3

Basic Information
CAS No.: 62306-80-3
Name: 5-Formylfuran-3-boronic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 62306-80-3 (5-Formylfuran-3-boronic acid)
Formula: C5H5BO4
Molecular Weight: 139.90
Synonyms: Boronicacid, (5-formyl-3-furanyl)- (9CI);(5-Formylfuran-3-yl)boronic acid;2-Formyl-4-furanboronic acid;5-Formyl-3-furanboronic acid;
Density: 1.36 g/cm3
Boiling Point: 379.3 °C at 760 mmHg
Flash Point: 183.2 °C
Appearance: white to light yellow crystal powder
PSA: 70.67000
LogP: -1.22810
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  • 62306-80-3          C5H5BO4                      5-Formylfuran-3-boronic acid

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Specification

This chemical is called Boronic acid, B-(5-formyl-3-furanyl)-, and its systematic name is (5-formylfuran-3-yl)boronic acid. With the molecular formula of C5H5BO4, its molecular weight is 139.90. The CAS registry number of this chemical is 62306-80-3.

Other characteristics of the Boronic acid, B-(5-formyl-3-furanyl)- can be summarised as followings: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.09; (4)ACD/LogD (pH 7.4): -0.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.61; (8)ACD/KOC (pH 7.4): 11.27; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48.67 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 30.74 cm3; (15)Molar Volume: 102.6 cm3; (16)Polarizability: 12.18×10-24cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 183.2 °C; (20)Enthalpy of Vaporization: 66.17 kJ/mol; (21)Boiling Point: 379.3 °C at 760 mmHg; (22)Vapour Pressure: 1.98E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1occ(B(O)O)c1
2.InChI: InChI=1/C5H5BO4/c7-2-5-1-4(3-10-5)6(8)9/h1-3,8-9H
3.InChIKey: RIBSTTPRQPAXRS-UHFFFAOYAG