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CAS No.: | 6924-99-8 |
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Name: | quinoxaline-2,3-dicarboxylic acid |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H6N2O4 |
Molecular Weight: | 218.169 |
Synonyms: | 2,3-Dicarboxyquinoxaline;NSC 402845;Quinoxaline-2,3-dicarboxylic acid; |
EINECS: | 230-046-9 |
Density: | 1.615 g/cm3 |
Boiling Point: | 430.6 °C at 760 mmHg |
Flash Point: | 214.2 °C |
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The 2,3-Quinoxalinedicarboxylicacid, with the CAS registry number 6924-99-8, is also known as 2,3-Dicarboxyquinoxaline. Its EINECS number is 230-046-9. This chemical's molecular formula is C10H6N2O4 and formula weight is 218.17. What's more, its IUPAC name is Quinoxaline-2,3-dicarboxylic acid.
Physical properties of 2,3-Quinoxalinedicarboxylicacid are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.12; (4)ACD/BCF (pH 5.5): 1; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 78.38 Å2; (9)Index of Refraction: 1.734; (10)Molar Refractivity: 54.13 cm3; (11)Molar Volume: 135 cm3; (12)Surface Tension: 96.8 dyne/cm; (13)Density: 1.615 g/cm3; (14)Flash Point: 214.2 °C; (15)Enthalpy of Vaporization: 72.33 kJ/mol; (16)Boiling Point: 430.6 °C at 760 mmHg; (17)Vapour Pressure: 3.51E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methyl-pyrrolo[3,4-b]quinoxaline-1,3-dione. This reaction will need reagent aq. NaOH. The yield is about 90%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=C(C(=N2)C(=O)O)C(=O)O
(2)InChI: InChI=1S/C10H6N2O4/c13-9(14)7-8(10(15)16)12-6-4-2-1-3-5(6)11-7/h1-4H,(H,13,14)(H,15,16)
(3)InChIKey: CQZDWYYGOZOTHY-UHFFFAOYSA-N