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632325-56-5

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Basic Information
CAS No.: 632325-56-5
Name: 5-ETHOXYCARBONYLTHIOPHEN-2-BORONIC ACID
Molecular Structure:
Molecular Structure of 632325-56-5 (5-ETHOXYCARBONYLTHIOPHEN-2-BORONIC ACID)
Formula: C7H9BO4S
Molecular Weight: 200.02
Synonyms: [3-(Ethoxycarbonyl)thiophen-2-yl]boronic acid;
Density: 1.33 g/cm3
Boiling Point: 382 °C at 760 mmHg
Flash Point: 184.9 °C
PSA: 95.00000
LogP: -0.39540
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Specification

The 3-Ethoxycarbonylthiophen-2-boronic acid has CAS registry number 632325-56-5. This chemical's molecular formula is C7H9BO4S and molecular weight is 200.02. What's more, its systematic name is [3-(Ethoxycarbonyl)thiophen-2-yl]boronic acid.

Physical properties about 3-Ethoxycarbonylthiophen-2-boronic acid are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 12.36; (6)ACD/BCF (pH 7.4): 10.18; (7)ACD/KOC (pH 5.5): 210.33; (8)ACD/KOC (pH 7.4): 173.28; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 73 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 47.17 cm3; (15)Molar Volume: 149.6 cm3; (16)Polarizability: 18.7×10-24 cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 184.9 °C; (20)Enthalpy of Vaporization: 66.5 kJ/mol; (21)Boiling Point: 382 °C at 760 mmHg; (22)Vapour Pressure: 1.61E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccsc1B(O)O
(2) InChI: InChI=1/C7H9BO4S/c1-2-12-7(9)5-3-4-13-6(5)8(10)11/h3-4,10-11H,2H2,1H3
(3) InChIKey: PNZRRDAJSUVYCN-UHFFFAOYAQ