Boronic acid,B-(5-formyl-3-thienyl)- (175592-59-3)

The 2-Formylthiophene-4-boronic acid with cas registry number of 175592-59-3,  belongs to the following product categories: (1)ALDEHYDE; (2)Aldehydes; (3)Azoles; (4)blocks; (5)BoronicAcids; (6)Organoborons; (7)Thiophene. It has the systematic name of (5-formylthiophen-3-yl)boronic acid. And it is also called Boronicacid, (5-formyl-3-thienyl)- (9CI).

Physical properties about this chemical are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 39; (8)ACD/KOC (pH 7.4): 23; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 85.77 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 36.399 cm³; (15)Molar Volume: 110.453 cm³; (16)Polarizability: 14.43×10^-24cm³; (17)Surface Tension: 57.201 dyne/cm; (18)Enthalpy of Vaporization: 68.045 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

 You can still convert the following datas into molecular structure: 
(1)SMILES: O=Cc1cc(cs1)B(O)O;
(2)InChI: InChI=1/C5H5BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1-3,8-9H;
(3)InChIKey: ZCUFJAORCNFWOF-UHFFFAOYAY;
(4)Std. InChI: InChI=1S/C5H5BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1-3,8-9H;
(5)Std. InChIKey: ZCUFJAORCNFWOF-UHFFFAOYSA-N