Phenylfluorone

The 3H-Xanthen-3-one,2,6,7-trihydroxy-9-phenyl-, with the CAS registry number 975-17-7, is also known as Phenylfluorone. Its EINECS number is 213-550-3. This chemical's molecular formula is C₁₉H₁₂O₅ and molecular weight is 320.3. What's more, its systematic name is 2,6,7-Trihydroxy-9-phenyl-3H-xanthen-3-one. It is stable at common pressure and temperature but can form red or violet complex with Ce⁴⁺ or Sn⁴⁺ in weak acid medium. And it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidizers.

Physical properties of 3H-Xanthen-3-one,2,6,7-trihydroxy-9-phenyl- are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 153.02; (6)ACD/BCF (pH 7.4): 49.76; (7)ACD/KOC (pH 5.5): 1265.21; (8)ACD/KOC (pH 7.4): 411.43; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.791; (14)Molar Refractivity: 85.05 cm³; (15)Molar Volume: 200.5 cm³; (16)Polarizability: 33.71×10^-24 cm³; (17)Surface Tension: 90.1 dyne/cm; (18)Density: 1.59 g/cm³; (19)Flash Point: 243.4 °C; (20)Enthalpy of Vaporization: 100.24 kJ/mol; (21)Boiling Point: 646.8 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-17 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O
(2)InChI: InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H
(3)InChIKey: YDCFOUBAMGLLKA-UHFFFAOYSA-N