Molecule structure of (3S,4R)-4-(2-Fluorophenyl)pyrrolidine-3-carboxylic acid (CAS NO.1049975-91-8):
Product Name: (3S,4R)-4-(2-Fluorophenyl)pyrrolidine-3-carboxylic acid
Molecular Formula: C11H12FNO2
Molecular Weight: 209.22 g/mol
CAS Registry Number: 1049975-91-8
Index of Refraction: 1.545
Molar Refractivity: 52.34 cm3
Molar Volume: 165.3 cm3
Polarizability: 20.74×10-24 cm3
Surface Tension: 44.9 dyne/cm
Density: 1.264 g/cm3
Flash Point: 166.1 °C
Enthalpy of Vaporization: 62.86 kJ/mol
Boiling Point: 351 °C at 760 mmHg
Vapour Pressure: 1.57E-05 mmHg at 25 °C
SMILES: O=C(O)[C@H]2[C@H](c1c(F)cccc1)CNC2
InChI: InChI=1/C11H12FNO2/c12-10-4-2-1-3-7(10)8-5-13-6-9(8)11(14)15/h1-4,8-9,13H,5-6H2,(H,14,15)/t8-,9+/m0/s1
InChIKey: YVTADGCUSGBFIQ-DTWKUNHWBN
Std. InChI: InChI=1S/C11H12FNO2/c12-10-4-2-1-3-7(10)8-5-13-6-9(8)11(14)15/h1-4,8-9,13H,5-6H2,(H,14,15)/t8-,9+/m0/s1
Std. InChIKey of (3S,4R)-4-(2-Fluorophenyl)pyrrolidine-3-carboxylic acid (CAS NO.1049975-91-8): YVTADGCUSGBFIQ-DTWKUNHWSA-N
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