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887352-13-8

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Basic Information
CAS No.: 887352-13-8
Name: (1-Acetoxy-2,2,5,5-tetramethyl-δ-3-pyrroline-3-methyl) Methanesulfonate
Molecular Structure:
Molecular Structure of 887352-13-8 ((1-Acetoxy-2,2,5,5-tetramethyl-δ-3-pyrroline-3-methyl) Methanesulfonate)
Formula: C12H21NO5S
Molecular Weight: 291.36
Synonyms: (1-Acetoxy-2,2,5,5-tetramethyl-?′-3-pyrroline-3-methyl) Methanesulfonate;
Density: 1.22 g/cm3
Boiling Point: 381.3 °C at 760 mmHg
Flash Point: 184.4 °C
PSA: 81.29000
LogP: 2.25860
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Specification

The [2,2,5,5-Tetramethyl-3-(methylsulfonyloxymethyl)pyrrol-1-yl] acetate with CAS registry number of 887352-13-8 is also known as (1-Acetoxy-2,2,5,5-tetramethyl-δ-3-pyrroline-3-methyl) Methanesulfonate. The systematic name and product name are the same. In addition, the formula is C12H21NO5S and the molecular weight is 291.36.

Physical properties about [2,2,5,5-Tetramethyl-3-(methylsulfonyloxymethyl)pyrrol-1-yl] acetate are: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 1.08; (3)ACD/LogD (pH 7.4): 1.08 ; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.513; (7)Molar Refractivity: 71.55 cm3; (8)Molar Volume: 237.7 cm3; (9)Surface Tension: 43.1 dyne/cm; (10)Density: 1.22 g/cm3; (11)Flash Point: 184.4 °C; (12)Enthalpy of Vaporization: 62.96 kJ/mol; (13)Boiling Point: 381.3 °C at 760 mmHg; (14)Vapour Pressure: 5.11E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CC(=O)ON1C(C=C(C1(C)C)COS(=O)(=O)C)(C)C
2. InChI: InChI=1/C12H21NO5S/c1-9(14)18-13-11(2,3)7-10(12(13,4)5)8-17-19(6,15)16/h7H,8H2,1-6H3
3. InChIKey: IAXVRAGHABYUKD-UHFFFAOYAX
4. Std. InChI: InChI=1S/C12H21NO5S/c1-9(14)18-13-11(2,3)7-10(12(13,4)5)8-17-19(6,15)16/h7H,8H2,1-6H3
5. Std. InChIKey: IAXVRAGHABYUKD-UHFFFAOYSA-N