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103290-40-0

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Basic Information
CAS No.: 103290-40-0
Name: (2S,4R)-4-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 103290-40-0 ((2S,4R)-4-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID)
Formula: C11H13NO2
Molecular Weight: 191.23
Synonyms: L-Proline,4-phenyl-, cis-;
Density: 1.186 g/cm3
Boiling Point: 372.8 °C at 760 mmHg
Flash Point: 179.3 °C
PSA: 49.33000
LogP: 1.54550
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Specification

The L-Proline,4-phenyl-, (4R)-, with the CAS registry number 103290-40-0, is also known as (2S,4R)-4-Phenylpyrrolidine-2-carboxylic acid. This chemical's molecular formula is C11H13NO2 and molecular weight is 191.2264. Its systematic name is called (4R)-4-phenyl-L-proline.

Physical properties of L-Proline,4-phenyl-, (4R)-: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): -1.67; (3)ACD/LogD (pH 7.4): -1.67; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 52.34 cm3; (13)Molar Volume: 161.1 cm3; (14)Surface Tension: 46.4 dyne/cm; (15)Density: 1.186 g/cm3; (16)Flash Point: 179.3 °C; (17)Enthalpy of Vaporization: 65.4 kJ/mol; (18)Boiling Point: 372.8 °C at 760 mmHg; (19)Vapour Pressure: 3.22E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2NC[C@@H](c1ccccc1)C2
(2)InChI: InChI=1/C11H13NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10-/m0/s1
(3)InChIKey: JHHOFXBPLJDHOR-UWVGGRQHBF