CAS No.486-62-4,Ononin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	486-62-4
Name:	Ononin
Article Data:	7

Formula:	C₂₂H₂₂O₉
Molecular Weight:	430.411
Synonyms:	Ononin(6CI,7CI,8CI);7-(b-Glucosyloxy)-3-(4-methoxyphenyl)isoflavone;Formononetin 7-O-b-D-glucopyranoside;Formononetin 7-O-b-D-glucoside;Formononetin glucoside;
Density:	1.482 g/cm³
Melting Point:	216 °C
Boiling Point:	697.8 °C at 760 mmHg
Flash Point:	245.7 °C
Safety:	22-24/25
PSA:	138.82000
LogP:	0.64730

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Specification

The Ononin, with the CAS registry number 486-62-4, has the systematic name of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside. It belongs to the product category of Iso-Flavones. And the molecular formula of the chemical is C₂₂H₂₂O₉. While you are dealing with the chemical, be cautious not to breathe dust or contact with skin and eyes.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 9; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 90.91 Å²; (7)Index of Refraction: 1.655; (8)Molar Refractivity: 106.59 cm³; (9)Molar Volume: 290.3 cm³; (10)Polarizability: 42.25×10^-24cm³; (11)Surface Tension: 70.7 dyne/cm; (12)Density: 1.482 g/cm³; (13)Flash Point: 245.7 °C; (14)Enthalpy of Vaporization: 107.3 kJ/mol; (15)Boiling Point: 697.8 °C at 760 mmHg; (16)Vapour Pressure: 1.94E-20 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C3c4ccc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)cc4O/C=C3/c2ccc(OC)cc2
(2)InChI: InChI=1/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
(3)InChIKey: MGJLSBDCWOSMHL-MIUGBVLSBD