Molecular Structure of 7-Benzyloxy-1H-indole-3-carboxylic acid (CAS No.24370-75-0):
Molecular Formula: C16H13NO3
Molecular Weight: 267.28
CAS No: 24370-75-0
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 62.32 Å2
Index of Refraction: 1.696
Molar Refractivity: 76.62 cm3
Molar Volume: 199.1 cm3
Surface Tension: 63.3 dyne/cm
Density: 1.342 g/cm3
Flash Point: 275 °C
Enthalpy of Vaporization: 84.9 kJ/mol
Boiling Point: 531.1 °C at 760 mmHg
Vapour Pressure: 4.13E-12 mmHg at 25°C
Systematic Name: 7-Benzyloxy-1H-indole-3-carboxylic acid
InChI: InChI=1/C16H13NO3/c18-16(19)13-9-17-15-12(13)7-4-8-14(15)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)
InChIKey: UTKFPHSPQYCKBX-UHFFFAOYAI
Std. InChI: InChI=1S/C16H13NO3/c18-16(19)13-9-17-15-12(13)7-4-8-14(15)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)
Std. InChIKey: UTKFPHSPQYCKBX-UHFFFAOYSA-N
7-Benzyloxy-1H-indole-3-carboxylic acid (CAS No.24370-75-0), its synonym is 1H-Indole-3-carboxylic acid, 7-(phenylmethoxy)- .
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