CAS No.34785-11-0,4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	34785-11-0
Name:	4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID
Article Data:	1

Formula:	C₁₀H₇NO₃
Molecular Weight:	189.17
Synonyms:	4-Hydroxy-3-quinolinecarboxylicacid;NSC 4344;
EINECS:	-0
Density:	1.429 g/cm³
Melting Point:	268-273°C
Boiling Point:	358.4 °C at 760 mmHg
Flash Point:	170.5 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	70.42000
LogP:	1.63860

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Specification

The 4-hydroxyquinolinone-3-carboxylic acid , with the CAS registry number 34785-11-0, is also known as 4-Hydroxyquinoline-3-carboxylic acid. It belongs to the product categories of Acids and Derivatives; Heterocycles. This chemical's molecular formula is C₁₀H₇NO₃ and molecular weight is 189.17. What's more, its IUPAC name is called 4-Oxo-1H-quinoline-3-carboxylic acid.

Physical properties about 4-hydroxyquinolinone-3-carboxylic acid are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): -0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.19; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 47.61 cm³; (15)Molar Volume: 132.3 cm³; (16)Surface Tension: 62.5 dyne/cm; (17)Density: 1.429 g/cm³; (18)Flash Point: 170.5 °C; (19)Enthalpy of Vaporization: 63.72 kJ/mol; (20)Boiling Point: 358.4 °C at 760 mmHg; (21)Vapour Pressure: 9.28E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\2c1c(cccc1)N/C=C/2C(=O)O
(2) InChI: InChI=1/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)
(3) InChIKey: ILNJBIQQAIIMEY-UHFFFAOYAN