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Basic Information
CAS No.: 123990-79-4
Name: 6-METHOXY-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBONITRILE
Article Data: 4
Molecular Structure:
Molecular Structure of 123990-79-4 (6-METHOXY-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBONITRILE)
Formula: C11H8N2O2
Molecular Weight: 200.197
Synonyms: 2-Hydroxy-6-methoxyquinoline-3-carbonitrile;
Density: 1.365 g/cm3
Boiling Point: 458.839 °C at 760 mmHg
Flash Point: 231.298 °C
PSA: 65.88000
LogP: 1.40838
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Specification

The CAS registry number of 3-Quinolinecarbonitrile,1,2-dihydro-6-methoxy-2-oxo- is 123990-79-4. The systematic name is 2-hydroxy-6-methoxyquinoline-3-carbonitrile. In addition, the molecular formula is C11H8N2O2 and the molecular weight is 200.06. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.06; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 61; (7)ACD/KOC (pH 7.4): 8; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 66.14 Å2; (12)Index of Refraction: 1.667; (13)Molar Refractivity: 54.57 cm3; (14)Molar Volume: 146.614 cm3; (15)Polarizability: 21.633 ×10-24cm3; (16)Surface Tension: 72.155 dyne/cm; (17)Density: 1.365 g/cm3; (18)Flash Point: 231.298 °C; (19)Enthalpy of Vaporization: 74.68 kJ/mol; (20)Boiling Point: 458.839 °C at 760 mmHg.

Preparation of 3-Quinolinecarbonitrile,1,2-dihydro-6-methoxy-2-oxo-: it can be prepared by 2-chloro-3-cyano-6-methoxyquinoline. This reaction will need reagent aqueous HCl and solvent methanol. The yield is about 80%.

3-Quinolinecarbonitrile,1,2-dihydro-6-methoxy-2-oxo- can be prepared by 2-chloro-3-cyano-6-methoxyquinoline

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2nc(O)c(cc2c1)C#N
(2)InChI: InChI=1/C11H8N2O2/c1-15-9-2-3-10-7(5-9)4-8(6-12)11(14)13-10/h2-5H,1H3,(H,13,14)
(3)InChIKey: YGUXGTBWQYMRDL-UHFFFAOYAT