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103854-64-4

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Basic Information
CAS No.: 103854-64-4
Name: 8-METHOXY-QUINOLINE-2-CARBALDEHYDE
Article Data: 15
Molecular Structure:
Molecular Structure of 103854-64-4 (8-METHOXY-QUINOLINE-2-CARBALDEHYDE)
Formula: C11H9NO2
Molecular Weight: 187.198
Synonyms: 8-Methoxy-quinoline-2-carbaldehyde;8-Methoxyquinoline-2-carbaldehyde;
Density: 1.227 g/cm3
Melting Point: 102 °C(Solv: water (7732-18-5))
Boiling Point: 353.7 °C at 760 mmHg
Flash Point: 167.7 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 39.19000
LogP: 2.05590
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Specification

The 2-Quinolinecarboxaldehyde,8-methoxy-, with the CAS registry number 103854-64-4, is also known as 8-Methoxy-quinoline-2-carbaldehyde. This chemical's molecular formula is C11H9NO2 and molecular weight is 187.19. What's more, its systematic name is 8-Methoxyquinoline-2-carbaldehyde.

Physical properties of 2-Quinolinecarboxaldehyde,8-methoxy- are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.25; (6)ACD/BCF (pH 7.4): 16.26; (7)ACD/KOC (pH 5.5): 256.06; (8)ACD/KOC (pH 7.4): 256.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 55.61 cm3; (15)Molar Volume: 152.4 cm3; (16)Polarizability: 22.04×10-24 cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.227 g/cm3; (19)Flash Point: 167.7 °C; (20)Enthalpy of Vaporization: 59.87 kJ/mol; (21)Boiling Point: 353.7 °C at 760 mmHg; (22)Vapour Pressure: 3.52E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1nc2c(OC)cccc2cc1
(2)InChI: InChI=1/C11H9NO2/c1-14-10-4-2-3-8-5-6-9(7-13)12-11(8)10/h2-7H,1H3
(3)InChIKey: WXFAZCYUMXZXBA-UHFFFAOYAC