CAS No.134419-59-3,Tetrahydro-2H-pyran-4-yl methanesulfonate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	134419-59-3
Name:	Tetrahydro-2H-pyran-4-yl methanesulfonate
Article Data:	61

Formula:	C₆H₁₂O₄S
Molecular Weight:	180.225
Synonyms:	2H-3,4,5,6-tetrahydropyran-4-yl methylsulfonate;
Density:	1.26 g/cm³
Boiling Point:	329.1 °C at 760 mmHg
Flash Point:	152.8 °C
PSA:	60.98000
LogP:	1.22240

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Specification

The systematic name of Tetrahydro-2H-pyran-4-yl methanesulfonate is tetrahydro-2H-pyran-4-yl methanesulfonate. With the CAS registry number 134419-59-3, it is also named as 2H-3,4,5,6-tetrahydropyran-4-yl methylsulfonate. The product's categories are Pyrans, Piperidines & Piperazines. In addition, its molecular formula is C₆H₁₂O₄S and molecular weight is 180.2221.

The other characteristics of Tetrahydro-2H-pyran-4-yl methanesulfonate can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14.35; (5)ACD/KOC (pH 7.4): 14.35; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 60.98 Å²; (10)Index of Refraction: 1.473; (11)Molar Refractivity: 40.05 cm³; (12)Molar Volume: 142.5 cm³; (13)Polarizability: 15.88×10^-24cm³; (14)Surface Tension: 40.2 dyne/cm; (15)Density: 1.26 g/cm³; (16)Flash Point: 152.8 °C; (17)Enthalpy of Vaporization: 54.88 kJ/mol; (18)Boiling Point: 329.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000348 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(OC1CCOCC1)C
(2)InChI: InChI=1/C6H12O4S/c1-11(7,8)10-6-2-4-9-5-3-6/h6H,2-5H2,1H3
(3)InChIKey: GSEZHCLWHDZJAB-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H12O4S/c1-11(7,8)10-6-2-4-9-5-3-6/h6H,2-5H2,1H3
(5)Std. InChIKey: GSEZHCLWHDZJAB-UHFFFAOYSA-N