Acetic acid,2-[(9-oxo-9H-thioxanthen-2-yl)oxy]- (84434-05-9)

With the CAS registry number 84434-05-9, the IUPAC name of this chemical is 2-(9-oxothioxanthen-2-yl)oxyacetic acid. It is yellow powder which is used as ink light initiator. Additionally, this chemical should be sealed in the container and keep it in dry and cool place.

The other characteristics of ((9-Oxo-9H-thioxanthen-2-yl)oxy)acetic acid can be summarized as: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 74.96 cm3; (14)Molar Volume: 197.1 cm3; (15)Polarizability: 29.71 10-24cm3; (16)Surface Tension: 66.4 dyne/cm; (17)Enthalpy of Vaporization: 84.62 kJ/mol; (18)Vapour Pressure: 5.13E-12 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 286.029979; (21)MonoIsotopic Mass: 286.029979; (22)Topological Polar Surface Area: 88.9; (23)Heavy Atom Count: 20.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)COc2cc1C(=O)c3c(Sc1cc2)cccc3
2. InChI:InChI=1/C15H10O4S/c16-14(17)8-19-9-5-6-13-11(7-9)15(18)10-3-1-2-4-12(10)20-13/h1-7H,8H2,(H,16,17)