CAS No.6439-53-8,4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-2-quinolone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6439-53-8
Name:	4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-2-quinolone

Formula:	C₁₆H₁₂N₄O₄
Molecular Weight:	324.29
Synonyms:	4-Hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-2(1H)-quinolinone;4-Hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-2-quinolone;
EINECS:	229-219-1
Density:	1.44 g/cm³
Boiling Point:	480.7 °C at 760 mmHg
Flash Point:	244.5 °C
PSA:	112.77000
LogP:	4.09090

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Specification

The 2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[2-(3-nitrophenyl)diazenyl]-, with the CAS registry number 6439-53-8, is also known as 4-Hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-2-quinolone. It belongs to the product category of Organics. Its EINECS registry number is 229-219-1. This chemical's molecular formula is C₁₆H₁₂N₄O₄ and molecular weight is 324.29088. What's more, its systematic name is 4-Hydroxy-1-methyl-3-(3-nitrophenyl)azo-quinolin-2-one.

Physical properties about 2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[2-(3-nitrophenyl)diazenyl]- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 0.43; (5)#H bond acceptors: 8; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 111.08 Å²; (9)Index of Refraction: 1.693; (10)Molar Refractivity: 85.87 cm³; (11)Molar Volume: 223.8 cm³; (12)Polarizability: 34.04×10^-24 cm³; (13)Surface Tension: 62.9 dyne/cm; (14)Density: 1.44 g/cm³; (15)Flash Point: 244.5 °C; (16)Enthalpy of Vaporization: 78.5 kJ/mol; (17)Boiling Point: 480.7 °C at 760 mmHg; (18)Vapour Pressure: 4.74E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cccc(c1)N=N\C3=C(/O)c2ccccc2N(C)C3=O
(2) InChI: InChI=1/C16H12N4O4/c1-19-13-8-3-2-7-12(13)15(21)14(16(19)22)18-17-10-5-4-6-11(9-10)20(23)24/h2-9,21H,1H3
(3) InChIKey: XXSLVBDPACXUDO-UHFFFAOYAS