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| CAS No.: | 54957-90-3 |
|---|---|
| Name: | Quinoline sulphate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H9NO4S |
| Molecular Weight: | 356.402 |
| Synonyms: | Quinoline sulfate (1:1); |
| Flash Point: | 101.1 °C |
| PSA: | 95.87000 |
| LogP: | 2.66280 |
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- Total:11 Page 1 of 1 1
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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