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39354-67-1

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Basic Information
CAS No.: 39354-67-1
Name: ACID YELLOW 3
Molecular Structure:
Molecular Structure of 39354-67-1 (ACID YELLOW 3)
Formula: C18H9NNa2O8S2
Molecular Weight: 477.38
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    Quinoline Yellow WS

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    Quinoline Yellow WS Application:Organic Chemicals

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    Quinoline Yellow WS

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    ACID YELLOW 3

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

This chemical is called Quinoline Yellow WS, and its IUPAC name is disodium 2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate. With the molecular formula of C18H9NNa2O8S2, its molecular weight is 477.38. The CAS registry number of this chemical is 39354-67-1. 

Other characteristics of the Quinoline Yellow WS can be summarised as followings: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.83; (4)ACD/LogD (pH 7.4): -4.18; (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: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 172.53 Å2.

You can still convert the following datas into molecular structure: 
1.SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2ccc(nc12)C4C(=O)c3ccccc3C4=O)S([O-])(=O)=O
2.InChI: InChI=1/C18H11NO8S2.2Na/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-10(28(22,23)24)8-14(16(9)19-13)29(25,26)27;;/h1-8,15H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
3.InChIKey: FZUOVNMHEAPVBW-NUQVWONBAX