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| CAS No.: | 17635-26-6 |
|---|---|
| Name: | 2,3-DIMETHYL-QUINOXALINE-6-CARBOXYLIC ACID |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C11H10N2O2 |
| Molecular Weight: | 202.213 |
| Synonyms: | 2,3-Dimethylquinoxaline-6-carboxylicacid;NSC 38549;2,3-Dimethyl-6-quinoxalinecarboxylic acid; |
| Density: | 1.303 g/cm3 |
| Melting Point: | 230 °C |
| Boiling Point: | 359.6 °C at 760 mmHg |
| Flash Point: | 171.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26 |
| PSA: | 63.08000 |
| LogP: | 1.94480 |
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Specification
The 6-Quinoxalinecarboxylicacid, 2,3-dimethyl-, with the CAS registry number 17635-26-6, is also known as 2,3-Dimethyl-6-quinoxalinecarboxylic acid. This chemical's molecular formula is C11H10N2O2 and molecular weight is 202.21. What's more, its systematic name is 2,3-Dimethylquinoxaline-6-carboxylic acid.
Physical properties of 6-Quinoxalinecarboxylicacid, 2,3-dimethyl- are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.35; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 52.08 Å2; (12)Index of Refraction: 1.654; (13)Molar Refractivity: 56.85 cm3; (14)Molar Volume: 155 cm3; (15)Polarizability: 22.54×10-24 cm3; (16)Surface Tension: 62.9 dyne/cm; (17)Density: 1.303 g/cm3; (18)Flash Point: 171.3 °C; (19)Enthalpy of Vaporization: 63.85 kJ/mol; (20)Boiling Point: 359.6 °C at 760 mmHg; (21)Vapour Pressure: 8.51E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC2=C(C=C(C=C2)C(=O)O)N=C1C
(2)InChI: InChI=1S/C11H10N2O2/c1-6-7(2)13-10-5-8(11(14)15)3-4-9(10)12-6/h3-5H,1-2H3,(H,14,15)
(3)InChIKey: RCACNAWRFYUKLC-UHFFFAOYSA-N