Molecular Structure of Isoquinoline-4-carboxylic acid (CAS No.7159-36-6):
Molecular Formula: C10H7NO2
Molecular Weight: 173.1681
CAS No: 7159-36-6
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 39.19 Å2
Index of Refraction: 1.684
Molar Refractivity: 49.11 cm3
Molar Volume: 129.3 cm3
Surface Tension: 65.1 dyne/cm
Density: 1.339 g/cm3
Flash Point: 199.1 °C
Enthalpy of Vaporization: 69.3 kJ/mol
Boiling Point: 405.6 °C at 760 mmHg
Vapour Pressure: 2.64E-07 mmHg at 25°C
InChI: InChI=1/C10H7NO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,(H,12,13)
InChIKey: MCVMLYSLPCECGO-UHFFFAOYAZ
Std. InChI: InChI=1S/C10H7NO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,(H,12,13)
Std. InChIKey: MCVMLYSLPCECGO-UHFFFAOYSA-N
Systematic Name: Isoquinoline-4-carboxylic acid
Product Categories: Isoquinoline Derivertives;Building Blocks;Isoquinoline
Hazard Codes: Xi
HazardClass: IRRITANT
Isoquinoline-4-carboxylic acid (CAS No.7159-36-6), its synonym is 4-Isoquinolinecarboxylic acid .
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