4-Acetamidosalicylic acid (50-86-2)

This chemical is called 4-Acetamidosalicylic acid, and it can also be named as P-Acetamidosalicylic acid. With the CAS number of 50-86-2, its IUPAC name is 4-acetamido-2-hydroxybenzoic acid. Usually, its molecular formula is C₉H₉NO_4. This chemical is off-white solid, and its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides and Salts, Aromatics.

Other characteristics of the 4-Acetamidosalicylic acid are as followings: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.17; (4)ACD/LogD (pH 7.4): -1.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 49.33 cm³; (15)Molar Volume: 133.4 cm³; (16)Polarizability: 19.55×10^-24 cm³; (17)Surface Tension: 71.5 dyne/cm; (18)Density: 1.462 g/cm³; (19)Flash Point: 238.4 °C; (20)Enthalpy of Vaporization: 77.25 kJ/mol; (21)Boiling Point: 470.6 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-09 mmHg at 25°C; (23)Melting Point: 227-229°C; (24)Henry's Law Constant : 1.63E-14 atm-m³/mole at 25°C; (25)Atmospheric OH Rate Constant: 7.93E-11 cm³/molecule-sec at 25°C; (26)Log P(octanol-water); 1.62.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(O)c1ccc(cc1O)NC(=O)C
(2)InChI: InChI=1/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)
(3)InChIKey: YBTVSGCNBZPRBD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)
(5)Std. InChIKey: YBTVSGCNBZPRBD-UHFFFAOYSA-N