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Basic Information
CAS No.: 126522-74-5
Name: 1-(MESITYLSULFONYL)PYRROLIDINE-2-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 126522-74-5 (1-(MESITYLSULFONYL)PYRROLIDINE-2-CARBOXYLIC ACID)
Formula: C14H19NO4S
Molecular Weight: 297.375
Synonyms: 1-(Mesitylsulfonyl)proline;
Density: 1.303 g/cm3
Boiling Point: 489.7 °C at 760 mmHg
Flash Point: 250 °C
PSA: 83.06000
LogP: 2.86820
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Specification

The CAS registry number of D-Proline,1-[(2,4,6-trimethylphenyl)sulfonyl]- is 126522-74-5. This chemical is also named as 1-(Mesitylsulfonyl)proline. In addition, its molecular formula is C14H19NO4S and molecular weight is 297.37. Its systematic name is called 1-[(2,4,6-trimethylphenyl)sulfonyl]proline.

Physical properties about D-Proline,1-[(2,4,6-trimethylphenyl)sulfonyl]- are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.76; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 76.06 cm3; (13)Molar Volume: 228.1 cm3; (14)Surface Tension: 52.9 dyne/cm; (15)Density: 1.303 g/cm3; (16)Flash Point: 250 °C; (17)Enthalpy of Vaporization: 79.63 kJ/mol; (18)Boiling Point: 489.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2N(S(=O)(=O)c1c(cc(cc1C)C)C)CCC2
(2)InChI: InChI=1/C14H19NO4S/c1-9-7-10(2)13(11(3)8-9)20(18,19)15-6-4-5-12(15)14(16)17/h7-8,12H,4-6H2,1-3H3,(H,16,17)
(3)InChIKey: WOOZXNKLFHMTLX-UHFFFAOYAE