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5-Methoxyquinoline

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Name

5-Methoxyquinoline

EINECS -0
CAS No. 6931-19-7 Density 1.13 g/cm3
PSA 22.12000 LogP 2.24340
Solubility N/A Melting Point N/A
Formula C10H9NO Boiling Point 280.1 °C at 760 mmHg
Molecular Weight 159.188 Flash Point 102.7 °C
Transport Information N/A Appearance Brown Oil
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6931-19-7 (5-Methoxyquinoline) Hazard Symbols N/A
Synonyms

Quinoline, 5-methoxy-;

Article Data 16

5-Methoxyquinoline Specification

The IUPAC name of 5-Methoxyquinoline is 5-methoxyquinoline. With the CAS registry number 6931-19-7, it is also named as Quinoline, 5-methoxy-. The product's categories are chemical amines, amines and aromatics. In addition, it is brown oil. Moreover, its molecular formula is C10H9NO and its molecular weight is 159.18.

The other characteristics of can be summarized as: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 36.84; (6)ACD/BCF (pH 7.4): 44.81; (7)ACD/KOC (pH 5.5): 434.83; (8)ACD/KOC (pH 7.4): 528.82; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 48.86 cm3; (15)Molar Volume: 140.7 cm3; (16)Polarizability: 19.37×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 102.7 °C; (20)Enthalpy of Vaporization: 49.8 kJ/mol; (21)Boiling Point: 280.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00656 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(c1cccc2ncccc12)C
(2)InChI:InChI=1/C10H9NO/c1-12-10-6-2-5-9-8(10)4-3-7-11-9/h2-7H,1H3
(3)InChIKey:ZFVRPAOFSPXEIM-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C10H9NO/c1-12-10-6-2-5-9-8(10)4-3-7-11-9/h2-7H,1H3
(5)Std. InChIKey:ZFVRPAOFSPXEIM-UHFFFAOYSA-N

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