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Basic Information
CAS No.: 748777-12-0
Name: (2S,3R)-Methyl 2-(4-methoxyphenyl)pyrrolidine-3-carboxylate
Article Data: 2
Molecular Structure:
Molecular Structure of 748777-12-0 ((2S,3R)-Methyl 2-(4-methoxyphenyl)pyrrolidine-3-carboxylate)
Formula: C13H17 N O3
Molecular Weight: 235.283
Synonyms: LogP
Density: 1.117g/cm3
Boiling Point: 342.8°C at 760 mmHg
Flash Point: 161.1°C
PSA: 47.56000
LogP: 1.84760
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Chemistry

Molecular Structure of (2S,3R)-Methyl 2-(4-methoxyphenyl)pyrrolidine-3-carboxylate (CAS NO.748777-12-0):

Systematic Name: Methyl (2S,3R)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate 
Molecular Formula: C13H17NO3
Molecular Weight: 235.28
CAS Registry Number: 748777-12-0 
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Index of Refraction: 1.518
Molar Refractivity: 63.86 cm3
Molar Volume: 210.5 cm3
Surface Tension: 38 dyne/cm
Density: 1.117 g/cm3
Flash Point: 161.1 °C
Enthalpy of Vaporization: 58.66 kJ/mol
Boiling Point: 342.8 °C at 760 mmHg
Vapour Pressure: 7.36E-05 mmHg at 25 °C
SMILES: COc1ccc(cc1)[C@@H]2[C@@H](CCN2)C(=O)OC
InChI: InChI=1/C13H17NO3/c1-16-10-5-3-9(4-6-10)12-11(7-8-14-12)13(15)17-2/h3-6,11-12,14H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKey: ZIFNSVMYHQPTFI-VXGBXAGGBK

Specification

 (2S,3R)-Methyl 2-(4-methoxyphenyl)pyrrolidine-3-carboxylate (CAS NO.748777-12-0), its Synonyms are 3-Pyrrolidinecarboxylicacid, 2-(4-methoxyphenyl)-, methyl ester, (2R,3S)-rel- ; Cis-methyl2-(4-methoxyphenyl)pyrrolidine-3-carboxylate ; Methyl (2S,3R)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate .