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CAS No.: | 1095824-76-2 |
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Name: | 2-acetylthiazole-5-carboxylic acid |
Molecular Structure: | |
Formula: | C6H5NO3S |
Molecular Weight: | 171.1738 |
Synonyms: | 4-thiazolecarboxylic acid, 2-acetyl-;4-thiazolecarboxylic acid, 2-acetyl-; |
Density: | 1.473 g/cm3 |
Boiling Point: | 380 °C at 760 mmHg |
Flash Point: | 183.6 °C |
PSA: | 95.50000 |
LogP: | 1.04390 |
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Molecular Structure of 5-Thiazolecarboxylic acid, 2-acetyl (CAS NO.1095824-76-2):
Empirical Formula: C6H5NO3S
Molecular Weight: 171.1738
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 84.5 Å2
Index of Refraction: 1.598
Molar Refractivity: 39.68 cm3
Molar Volume: 116.1 cm3
Surface Tension: 66.5 dyne/cm
Density: 1.473 g/cm3
Flash Point: 183.6 °C
Enthalpy of Vaporization: 66.26 kJ/mol
Boiling Point: 380 °C at 760 mmHg
Vapour Pressure: 1.88E-06 mmHg at 25°C
SMILES: O=C(O)c1nc(sc1)C(=O)C
InChI: InChI=1/C6H5NO3S/c1-3(8)5-7-4(2-11-5)6(9)10/h2H,1H3,(H,9,10)
5-Thiazolecarboxylic acid, 2-acetyl , with CAS number of 1095824-76-2, can be called 4-thiazolecarboxylic acid, 2-acetyl- ; 4-thiazolecarboxylic acid, 2-acetyl- .