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Tetrahydro-2H-pyran-4-yl methanesulfonate

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Name

Tetrahydro-2H-pyran-4-yl methanesulfonate

EINECS N/A
CAS No. 134419-59-3 Density 1.26 g/cm3
PSA 60.98000 LogP 1.22240
Solubility N/A Melting Point N/A
Formula C6H12O4S Boiling Point 329.1 °C at 760 mmHg
Molecular Weight 180.225 Flash Point 152.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 134419-59-3 (Tetrahydro-2H-pyran-4-yl  methanesulfonate) Hazard Symbols N/A
Synonyms

2H-3,4,5,6-tetrahydropyran-4-yl methylsulfonate;

Article Data 61

Tetrahydro-2H-pyran-4-yl methanesulfonate 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

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