Molecular Structure of (Z)-2-(2-Aminothiazol-4-yl)-2-(1-carboxy-1-methyl)ethoxyiminoacetic acid (CAS NO.102507-85-7):
Empirical Formula: C9H11N3O5S
Molecular Weight: 273.2657
H bond acceptors: 8
H bond donors: 4
Freely Rotating Bonds: 5
Polar Surface Area: 163.34 Å2
Index of Refraction: 1.658
Molar Refractivity: 62.265 cm3
Molar Volume: 169.023 cm3
Surface Tension: 67.745 dyne/cm
Density: 1.617 g/cm3
Flash Point: 281.265 °C
Enthalpy of Vaporization: 86.232 kJ/mol
Boiling Point: 541.459 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: O=C(O)C(O\N=C(\c1nc(sc1)N)C(=O)O)(C)C
InChI: InChI=1/C9H11N3O5S/c1-9(2,7(15)16)17-12-5(6(13)14)4-3-18-8(10)11-4/h3H,1-2H3,(H2,10,11)(H,13,14)(H,15,16)/b12-5-
(Z)-2-(2-Aminothiazol-4-yl)-2-(1-carboxy-1-methyl)ethoxyiminoacetic acid , with CAS number of 102507-85-7, can be called 2-({[(Z)-(2-Amino-1,3-thiazol-4-yl)(carboxy)methylene]amino}oxy)-2-methylpropanoic acid ; 2-({[(Z)-(2-amino-1,3-thiazol-4-yl)(carboxy)methylidene]amino}oxy)-2-methylpropanoic acid ; 4-thiazoleacetic acid, 2-amino-alpha-[(1-carboxy-1-methylethoxy)imino]-, (alphaZ)- .
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