Bianthrone supplier Bianthrone China Bianthrone 98%
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1. Introduction of Bianthrone
The Bianthrone, with its CAS NO, is a kind of yellow powder. It has synonyms of 10-(10-Oxo-9(10H)-anthracenylidene)-9(10H)-anthracenone;Dehydrodianthrone;10-(10-Oxo-9(10H)-anthracenylidene)-9(10H)-anthracenone;BAN;Bianthrone;Bisanthrone;Dehydrodianthrone;NSC 627656 and NSC 89778.
2. Properties of Bianthrone
ACD/LogP: 5.254 # of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 5.25 ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 5.5): 5794.88 ACD/BCF (pH 7.4): 5794.88
ACD/KOC (pH 5.5): 17186.18 ACD/KOC (pH 7.4): 17186.18
#H bond acceptors: 2 #Freely Rotating Bonds: 0 Polar Surface Area: 34.14 2
Index of Refraction: 1.728 Molar Refractivity: 114.715 cm3
Molar Volume: 288.065 cm3 Polarizability: 45.477 10-24cm3
Surface Tension: 62.4360008239746 dyne/cm Density: 1.335 g/cm3
Flash Point: 208.41 °C Enthalpy of Vaporization: 85.606 kJ/mol
Boiling Point: 570.814 °C at 760 mmHg
3. Structure descriptors of Bianthrone
SMILES:O=C5c1ccccc1\C(=C3/c2c(cccc2)C(=O)c4c3cccc4)c6ccccc56
Std. InChI:InChI=1S/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H
Std. InChIKey:MGRRGKWPEVFJSH-UHFFFAOYSA-N
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