Molecular Structure of 7-Methylisoquinoline (CAS No.54004-38-5):

Molecular Formula: C₁₀H₉N
Molecular Weight: 143.18
CAS No: 54004-38-5
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 12.89 Å²
Index of Refraction: 1.624
Molar Refractivity: 47.01 cm³
Molar Volume: 133 cm³
Surface Tension: 44.1 dyne/cm
Density: 1.076 g/cm³
Flash Point: 99.7 °C
Enthalpy of Vaporization: 46.33 kJ/mol
Boiling Point: 245.7 °C at 760 mmHg
Vapour Pressure: 0.0443 mmHg at 25°C
Product Categories: Isoquinoline Derivertives
IUPAC Name: 7-Methylisoquinoline 
Canonical SMILES: CC1=CC2=C(C=C1)C=CN=C2
InChI: InChI=1S/C₁₀H₉N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-7H,1H3
InChIKey: GYVUMHXXXAATFQ-UHFFFAOYSA-N