1H,3H-Naphtho[1,8-cd]pyran-6,7-dicarboxylicacid, 1,3-dioxo- (52671-72-4)

The 1,4,5,8-Naphthalenetetracarboxylic acid 1,8-monoanhydride, with the CAS registry number 52671-72-4, has the systematic name of 1,3-dioxo-1H,3H-benzo[de]isochromene-6,7-dicarboxylic acid. The molecular formula of the chemical is C₁₄H₆O₇. 

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.29; (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: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 95.97 Å²; (11)Index of Refraction: 1.772; (12)Molar Refractivity: 67.38 cm³; (13)Molar Volume: 161.7 cm³; (14)Polarizability: 26.71×10^-24cm³; (15)Surface Tension: 98 dyne/cm; (16)Density: 1.769 g/cm³; (17)Flash Point: 272.2 °C; (18)Enthalpy of Vaporization: 106.61 kJ/mol; (19)Boiling Point: 692.8 °C at 760 mmHg; (20)Vapour Pressure: 3.75E-20 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is very toxic to aquatic organisms, and it also irritates to eyes. Therefore, you had better take the following instructions: Avoid release to the environment. Refer to special instructions safety data sheet; Wear suitable protective clothing and gloves; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C3OC(=O)c2ccc(c1c(ccc3c12)C(=O)O)C(=O)O
(2)InChI: InChI=1/C14H6O7/c15-11(16)5-1-3-7-10-8(14(20)21-13(7)19)4-2-6(9(5)10)12(17)18/h1-4H,(H,15,16)(H,17,18)
(3)InChIKey: YQXRNSHBINARCY-UHFFFAOYAS