Molecular Structure of 4-Methoxyisoquinoline (CAS NO.36034-54-5):
IUPAC Name: 4-Methoxyisoquinoline
Molecular Formula: C10H9NO
Molecular Weight: 159.18
XLogP3-AA: 2.1
H-Bond Donor: 0
H-Bond Acceptor: 2
Index of Refraction: 1.61
Molar Refractivity: 48.86 cm3
Molar Volume: 140.7 cm3
Surface Tension: 43.6 dyne/cm
Density: 1.13 g/cm3
Flash Point: 108.4 °C
Enthalpy of Vaporization: 51.39 kJ/mol
Boiling Point: 295.6 °C at 760 mmHg
Vapour Pressure: 0.00266 mmHg at 25 °C
Canonical SMILES: COC1=CN=CC2=CC=CC=C21
InChI: InChI=1S/C10H9NO/c1-12-10-7-11-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKey: YZGFLHYYILUCCS-UHFFFAOYSA-N
4-Methoxyisoquinoline (CAS NO.36034-54-5), its Synonym is Isoquinoline, 4-methoxy- .
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