(Z)-4-(2-(1-Ethoxy-1-oxopropan-2-ylidene)hydrazinyl)benzoic acid (301222-77-5)

The (Z)-4-(2-(1-Ethoxy-1-oxopropan-2-ylidene)hydrazinyl)benzoic acid, with the CAS registry number 301222-77-5, has the molecular formula C₁₂H₁₄N₂O₄. In addition, its molecular weight is 250.25. Its systematic name is called 4-[(2Z)-2-(2-ethoxy-1-methyl-2-oxo-ethylidene)hydrazino]benzoic acid.

Physical properties of (Z)-4-(2-(1-Ethoxy-1-oxopropan-2-ylidene)hydrazinyl)benzoic acid: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.918; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.676; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.959; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 64.982 cm³; (14)Molar Volume: 203.35 cm³; (15)Surface Tension: 43.933 dyne/cm; (16)Density: 1.231 g/cm³; (17)Flash Point: 194.614 °C; (18)Enthalpy of Vaporization: 68.414 kJ/mol; (19)Boiling Point: 398.182 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)/C(=N\Nc1ccc(cc1)C(=O)O)/C
(2)InChI: InChI=1/C12H14N2O4/c1-3-18-12(17)8(2)13-14-10-6-4-9(5-7-10)11(15)16/h4-7,14H,3H2,1-2H3,(H,15,16)/b13-8-
(3)InChIKey: ZIKVTANNHLKBSC-JYRVWZFOBD