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Quinoline sulphate

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Name

Quinoline sulphate

EINECS
CAS No. 54957-90-3 Density
PSA 95.87000 LogP 2.66280
Solubility Melting Point
Formula C9H9NO4S Boiling Point
Molecular Weight 227.24 Flash Point 101.1 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 54957-90-3 (Quinoline sulphate) Hazard Symbols
Synonyms

Quinoline sulfate (1:1);

 

Quinoline sulphate Specification

The Quinoline sulphate, with the CAS registry number of 54957-90-3, is also known as Quinoline; sulfuric acid. This chemical's molecular formula is C9H9NO4S and molecular weight is 227.24. What's more, its systematic name is called Quinoline sulfate (1:1).

Physical properties about Quinoline sulphate are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 17.44; (6)ACD/BCF (pH 7.4): 22.5; (7)ACD/KOC (pH 5.5): 250.21; (8)ACD/KOC (pH 7.4): 322.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Flash Point: 101.1 °C; (14)Enthalpy of Vaporization: 45.17 kJ/mol; (15)Boiling Point: 234.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0822 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)O.n1cccc2ccccc12
(2) InChI: InChI=1/C9H7N.H2O4S/c1-2-6-9-8(4-1)5-3-7-10-9;1-5(2,3)4/h1-7H;(H2,1,2,3,4)
(3) InChIKey: WSZKUEZEYFNPID-UHFFFAOYAV

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