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Molecular Structure of 4-Hydroxy-7-methoxy-1H-quinolin-2-one (CAS No. 27037-34-9):
IUPAC Name: 2-Hydroxy-7-methoxy-1H-quinolin-4-one
Molecular Formula: C10H9NO3
Molecular Weight: 191.18
CAS Registry Number: 27037-34-9
Index of Refraction: 1.623
Molar Refractivity: 49.77 cm3
Molar Volume: 141 cm3
Surface Tension: 55.7 dyne/cm
Density: 1.355 g/cm3
Flash Point: 169.5 °C
Enthalpy of Vaporization: 63.52 kJ/mol
Boiling Point: 356.7 °C at 760 mmHg
Vapour Pressure: 1.05E-05 mmHg at 25°C
Structure Descriptors of 4-Hydroxy-7-methoxy-1H-quinolin-2-one (CAS No. 27037-34-9):
SMILES: O=C\2c1c(cc(OC)cc1)NC(/O)=C/2
InChI: InChI=1/C10H9NO3/c1-14-6-2-3-7-8(4-6)11-10(13)5-9(7)12/h2-5H,1H3,(H2,11,12,13)
InChIKey: RUWKOLGTLOFEMK-UHFFFAOYAC
Std. InChI: InChI=1S/C10H9NO3/c1-14-6-2-3-7-8(4-6)11-10(13)5-9(7)12/h2-5H,1H3,(H2,11,12,13)
Std. InChIKey: RUWKOLGTLOFEMK-UHFFFAOYSA-N