| Identification | |
| Name: | 6-Quinolinesulfonicacid |
| Synonyms: | NSC 246057;Quinoline-6-sulfonic acid; |
| CAS: | 65433-95-6 |
| Molecular Formula: | C9H7 N O3 S |
| Molecular Weight: | 209.22 |
| InChI: | InChI=1/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10) |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 116.1°C |
| Boiling Point: | 268.4°C at 760 mmHg |
| Density: | 1.499g/cm3 |
| Refractive index: | 1.443 |
| Specification: |
The 6-Quinolinesulfonic acid with cas registry number of 65433-95-6, is also called Quinoline-6-sulfonic acid; NSC 246057. Physical properties of 6-Quinolinesulfonic acid :(1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.01; (4)ACD/LogD (pH 7.4): -3.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.64 Å2; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 52.45 cm3; (15)Molar Volume: 139.5 cm3; (16)Polarizability: 20.79×10-24cm3; (17)Surface Tension: 67.9 dyne/cm. You can still convert the following datas into molecular structure:(1)SMILES:O=S(=O)(O)c1ccc2ncccc2c1; (2)InChI:InChI=1/C9H7NO3S/c11-14(12,13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H,(H,11,12,13); (3)InChIKey:PLUQFBYKHVFHMZ-UHFFFAOYAS; (4)Std. InChI:InChI=1S/C9H7NO3S/c11-14(12,13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H,(H,11,12,13); (5)Std. InChIKey:PLUQFBYKHVFHMZ-UHFFFAOYSA-N. |
| Flash Point: | 116.1°C |
| Safety Data | |
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