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CAS No.: | 906353-04-6 |
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Name: | 2-Morpholin-4-yl-1,3-thiazole-4-carboxylic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H10N2O3S |
Molecular Weight: | 214.245 |
Synonyms: | 2-Morpholin-4-yl-1,3-thiazole-4-carboxylic acid; |
Density: | 1.447 g/cm3 |
Melting Point: | 175-177 °C |
Boiling Point: | 435 °C at 760 mmHg |
Flash Point: | 216.9 °C |
PSA: | 90.90000 |
LogP: | 0.74290 |
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The 4-Thiazolecarboxylicacid, 2-(4-morpholinyl)-, with the CAS registry number 906353-04-6, is also known as 2-Morpholin-4-yl-1,3-thiazole-4-carboxylic acid. This chemical's molecular formula is C8H10N2O3S and molecular weight is 214.2416. What's more, its systematic name is called 2-Morpholinothiazole-4-carboxylic acid.
Physical properties about 4-Thiazolecarboxylicacid, 2-(4-morpholinyl)- are: (1) # of Rule of 5 Violations: 0; (2) #H bond acceptors: 5; (3) #H bond donors: 1; (4) #Freely Rotating Bonds: 2; (5) Polar Surface Area: 90.9 Å2; (6) Index of Refraction: 1.612; (7) Molar Refractivity: 51.46 cm3; (8) Molar Volume: 147.9 cm3; (9) Surface Tension: 66.1 dyne/cm; (10) Density: 1.447 g/cm3; (11) Flash Point: 216.9 °C; (12) Enthalpy of Vaporization: 72.85 kJ/mol; (13) Boiling Point: 435 °C at 760 mmHg; (14) Vapour Pressure: 2.46E-08 mmHg at 25 °C; (15) Melting Point: 175-177 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(nc(s1)N2CCOCC2)C(=O)O
(2) InChI: InChI=1/C8H10N2O3S/c11-7(12)6-5-14-8(9-6)10-1-3-13-4-2-10/h5H,1-4H2,(H,11,12)
(3) InChIKey: JXQGQYNBVNKCAK-UHFFFAOYAX