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CAS No.: | 402718-53-0 |
---|---|
Name: | 2-Heptyl-1,4-dihydro-4-oxo-3-quinolinecarboxaldehyde |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C17H21NO2 |
Molecular Weight: | 271.35400 |
Synonyms: | 2-heptyl-1,4-dihydro-4-oxo-3-quinolinecarbaldehyde;3-formyl-2-heptylquinolone;3-formyl-2-heptyl-4-quinolone;2-Heptyl-4-oxo-1,4-dihydroquinoline-3-carbaldehyde; |
Density: | 1.108 |
Boiling Point: | 407.1±45.0 °C(Predicted) |
PSA: | 49.93000 |
LogP: | 3.85350 |
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Molecular Structure of 2-Heptyl-1,4-dihydro-4-oxo-3-quinolinecarboxaldehyde (CAS No.402718-53-0):
Molecular Formula: C17H21NO2
Molecular Weight: 271.3541
CAS No: 402718-53-0
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 46.17 Å2
Index of Refraction: 1.573
Molar Refractivity: 80.601 cm3
Molar Volume: 244.754 cm3
Surface Tension: 45.473 dyne/cm
Density: 1.109 g/cm3
Flash Point: 140.62 °C
Enthalpy of Vaporization: 65.898 kJ/mol
Boiling Point: 407.141 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Systematic Name: 2-Heptyl-4-oxo-1,4-dihydroquinoline-3-carbaldehyde
InChI: InChI=1/C17H21NO2/c1-2-3-4-5-6-10-16-14(12-19)17(20)13-9-7-8-11-15(13)18-16/h7-9,11-12H,2-6,10H2,1H3,(H,18,20)
InChIKey: YDGMJDFKESRTIZ-UHFFFAOYAA
Std. InChI: InChI=1S/C17H21NO2/c1-2-3-4-5-6-10-16-14(12-19)17(20)13-9-7-8-11-15(13)18-16/h7-9,11-12H,2-6,10H2,1H3,(H,18,20)
Std. InChIKey: YDGMJDFKESRTIZ-UHFFFAOYSA-N