[4-(E-3-METHOXY-3-OXO-1-PROPEN-1-YL)PHENYL]BORONIC ACID

The 2-Propenoicacid, 3-(4-boronophenyl)-, 1-methyl ester, (2E)-, with CAS registry number 380430-58-0, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Carboxes. It has the systematic name of {4-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}boronic acid. And the chemical formula of this chemical is C₁₀H₁₁BO₄.

Physical properties of 2-Propenoicacid, 3-(4-boronophenyl)-, 1-methyl ester, (2E)-: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 8.81; (6)ACD/BCF (pH 7.4): 7.08; (7)ACD/KOC (pH 5.5): 165.02; (8)ACD/KOC (pH 7.4): 132.73; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 53.57 cm³; (15)Molar Volume: 169.2 cm³; (16)Polarizability: 21.23×10^-24cm³; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 191.9 °C; (20)Enthalpy of Vaporization: 67.88 kJ/mol; (21)Boiling Point: 393.7 °C at 760 mmHg; (22)Vapour Pressure: 6.64E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Propenoicacid, 3-(4-boronophenyl)-, 1-methyl ester, (2E)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C=C\c1ccc(B(O)O)cc1
(2)InChI: InChI=1/C10H11BO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-7,13-14H,1H3/b7-4+
(3)InChIKey: BIKAXBPCHWDATP-QPJJXVBHBB
(4)Std. InChI: InChI=1S/C10H11BO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-7,13-14H,1H3/b7-4+
(5)Std. InChIKey: BIKAXBPCHWDATP-QPJJXVBHSA-N