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186268-78-0

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Basic Information
CAS No.: 186268-78-0
Name: (2S)-1-(1',2'-DIOXO-3',3'-DIMETHYL-PENTYL)-2-PYRROLIDINE-CARBOXYLIC ACID
Article Data: 26
Molecular Structure:
Molecular Structure of 186268-78-0 ((2S)-1-(1',2'-DIOXO-3',3'-DIMETHYL-PENTYL)-2-PYRROLIDINE-CARBOXYLIC ACID)
Formula: C12H19NO4
Molecular Weight: 241.287
Synonyms: (2S)-1-(1,2-Dioxo-3,3-dimethylpentyl)-2-pyrrolidinecarboxylicacid;(2S)-1-(3,3-Dimethyl-2-oxopentanoyl)2-pyrrolidinecarboxylic acid;GM 1485;
Density: 1.189 g/cm3
Boiling Point: 386.198 °C at 760 mmHg
Flash Point: 187.366 °C
PSA: 74.68000
LogP: 1.00520
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Specification

The CAS register number of (2S)-1-(1,2-Dioxo-3,3-dimethylpentyl)-2-pyrrolidinecarboxylic acid is 186268-78-0. It also can be called as L-Proline,1-(3,3-dimethyl-1,2-dioxopentyl)- and the systematic name about this chemical is 1-(3,3-dimethyl-2-oxopentanoyl)-L-proline. The molecular formula about this chemical is C12H19NO4 and molecular weight is 241.28. It belongs to the Prolines.

Physical properties about (2S)-1-(1,2-Dioxo-3,3-dimethylpentyl)-2-pyrrolidinecarboxylic acid are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -4; (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: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 74.68Å2; (12)Index of Refraction: 1.508; (13)Molar Refractivity: 60.486 cm3; (14)Molar Volume: 202.979 cm3; (15)Polarizability: 23.978x10-24cm3; (16)Surface Tension: 47.976 dyne/cm; (17)Enthalpy of Vaporization: 69.721 kJ/mol; (18)Boiling Point: 386.198 °C at 760 mmHg .

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1N(C(=O)C(=O)C(C)(C)CC)CCC1
(2)InChI: InChI=1/C12H19NO4/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h8H,4-7H2,1-3H3,(H,16,17)/t8-/m0/s1
(3)InChIKey: FOPALECPEUVCTL-QMMMGPOBBZ
(4)Std. InChI: InChI=1S/C12H19NO4/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h8H,4-7H2,1-3H3,(H,16,17)/t8-/m0/s1
(5)Std. InChIKey: FOPALECPEUVCTL-QMMMGPOBSA-N