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6046-42-0

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Basic Information
CAS No.: 6046-42-0
Name: 4-QUINOLINESULFONIC ACID
Molecular Structure:
Molecular Structure of 6046-42-0 (4-QUINOLINESULFONIC ACID)
Formula: C9H7NO3S
Molecular Weight: 209.225
Synonyms: Quinoline-4-sulfonic acid;4-Quinolinesulfonic acid;
Density: 1.4999 g/cm3
Melting Point: >270 °C
PSA: 75.64000
LogP: 2.56230
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Specification

This chemical is called 4-Quinolinesulfonicacid, and it can also be named as Quinoline-4-sulfonic acid. With the molecular formula of C9H7NO3S, its molecular weight is 209.22. The CAS registry number of this chemical is 6046-42-0, and its product category is pharmacetical. 

Other characteristics of the 4-Quinolinesulfonicacid can be summarised as follows: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.14; (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: 20.79×10-24 cm3; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.4999 g/cm3.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)c1c2ccccc2ncc1
2.InChI: InChI=1/C9H7NO3S/c11-14(12,13)9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,11,12,13)
3.InChIKey: UJRYDUDEJGXDNA-UHFFFAOYAD