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CAS No.: | 6924-66-9 |
---|---|
Name: | QUINOXALINE-5-CARBOXYLIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H6N2O2 |
Molecular Weight: | 174.159 |
Synonyms: | Acide 5-quinoxalinecarboxylique;Quinoxaline-5-carboxylic acid; |
Density: | 1.421 g/cm3 |
Boiling Point: | 394.8 °C at 760 mmHg |
Flash Point: | 192.6 °C |
Hazard Symbols: | Xi |
PSA: | 63.08000 |
LogP: | 1.32800 |
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The 5-Quinoxalinecarboxylicacid, with the CAS registry number 6924-66-9, is also known as Acide 5-quinoxalinecarboxylique. It belongs to the product categories of Quinoline series; Carboxylic Acids; Quinolines, Isoquinolines & Quinoxalines. This chemical's molecular formula is C9H6N2O2 and formula weight is 174.16. What's more, its IUPAC name is quinoxaline-5-carboxylic acid.
Physical properties of 5-Quinoxalinecarboxylicacid are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.53; (4)ACD/LogD (pH 7.4): -2.16; (5)ACD/BCF (pH 5.5): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 52.08 Å2; (10)Index of Refraction: 1.697; (11)Molar Refractivity: 47.2 cm3; (12)Molar Volume: 122.5 cm3; (13)Surface Tension: 75.7 dyne/cm; (14)Density: 1.421 g/cm3; (15)Flash Point: 192.6 °C; (16)Enthalpy of Vaporization: 68.02 kJ/mol; (17)Boiling Point: 394.8 °C at 760 mmHg; (18)Vapour Pressure: 6.07E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cccc2nccnc12
(2)InChI: InChI=1S/C9H6N2O2/c12-9(13)6-2-1-3-7-8(6)11-5-4-10-7/h1-5H,(H,12,13)
(3)InChIKey: QLZNISOPACYKOR-UHFFFAOYSA-N