(Z)-2-(Methoxycarbonylmethoxyimino)-2-(2-aminothiazol-4-yl)acetic acid (80544-17-8)

The (Z)-2-(Methoxycarbonylmethoxyimino)-2-(2-aminothiazol-4-yl)acetic acid with the CAS number 80544-17-8 is also called 4-thiazoleacetic acid, 2-amino-α-[(2-methoxy-2-oxoethoxy)imino]-, (alphaZ)-. The systematic name is (2Z)-(2-amino-1,3-thiazol-4-yl)[(2-methoxy-2-oxoethoxy)imino]ethanoic acid. Its molecular formula is also called C₈H₉N₃O₅S.

The properties of the chemical are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 152.34 Å²; (11)Index of Refraction: 1.655; (12)Molar Refractivity: 57.845 cm³; (13)Molar Volume: 157.634 cm³; (14)Polarizability: 22.932×10^-24cm³; (15)Surface Tension: 67.863 dyne/cm; (16)Enthalpy of Vaporization: 78.548 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1nc(cs1)\C(=N\OCC(=O)OC)C(O)=O
(2)InChI: InChI=1/C8H9N3O5S/c1-15-5(12)2-16-11-6(7(13)14)4-3-17-8(9)10-4/h3H,2H2,1H3,(H2,9,10)(H,13,14)/b11-6-
(3)InChIKey: AGFYEFQBXHONNW-WDZFZDKYBE