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CAS No.: | 1093120-64-9 |
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Name: | 5-Ethoxycarbonylthiophene-2-boronic acid |
Molecular Structure: | |
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Formula: | C7H9BO4S |
Molecular Weight: | 200.02 |
Synonyms: | (5-Ethoxycarbonyl-2-thienyl)boronic acid; |
Density: | 1.337 g/cm3 |
Boiling Point: | 391.068 °C at 760 mmHg |
Flash Point: | 190.311 °C |
PSA: | 95.00000 |
LogP: | -0.39540 |
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The CAS registry number of 5-Ethoxycarbonylthiophene-2-boronic acid is 1093120-64-9. The IUPAC name is (5-ethoxycarbonyl-2-thienyl)boronic acid. In addition, the molecular formula is C7H9BO4S and the molecular weight is 200.02. It should be stored in a airtight, cool and dry place.
Physical properties about 5-Ethoxycarbonylthiophene-2-boronic acid are: (1)(1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): 1.466; (3)ACD/LogD (pH 7.4): 1.249; (4)ACD/BCF (pH 5.5): 7.648; (5)ACD/BCF (pH 7.4): 4.642; (6)ACD/KOC (pH 5.5): 148.949; (7)ACD/KOC (pH 7.4): 90.407; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 95 Å2; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 47.173 cm3; (14)Molar Volume: 149.604 cm3; (15)Polarizability: 18.701 ×10-24cm3; (16)Surface Tension: 51.368 dyne/cm; (17)Density: 1.337 g/cm3; (18)Flash Point: 190.311 °C; (19)Enthalpy of Vaporization: 67.567 kJ/mol; (20)Boiling Point: 391.068 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(s1)C(=O)OCC)(O)O
(2)InChI: InChI=1/C7H9BO4S/c1-2-12-7(9)5-3-4-6(13-5)8(10)11/h3-4,10-11H,2H2,1H3
(3)InChIKey: QEBDDYBJDARVJR-UHFFFAOYAB