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188975-30-6

188975-30-6 | Methanesulfonic acid, 1,1,1-trifluoro-, 3,6-dihydro-2H-pyran-4-yl ester

CAS No: 188975-30-6 Catalog No: AG002HM9 MDL No:MFCD09997709

Product Description

Catalog Number:
AG002HM9
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 3,6-dihydro-2H-pyran-4-yl ester
CAS Number:
188975-30-6
Molecular Formula:
C6H7F3O4S
Molecular Weight:
232.1776
MDL Number:
MFCD09997709
IUPAC Name:
3,6-dihydro-2H-pyran-4-yl trifluoromethanesulfonate
InChI:
InChI=1S/C6H7F3O4S/c7-6(8,9)14(10,11)13-5-1-3-12-4-2-5/h1H,2-4H2
InChI Key:
QXCAHEXKUMUTRF-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)OC1=CCOCC1

Properties

Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.002g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.173g/mol
Monoisotopic Mass:
232.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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