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1227068-80-5 | Trifluoro-methanesulfonic acid 5,6-dihydro-2H-pyran-3-yl ester
CAS No: 1227068-80-5 Catalog No: AG01F64O MDL No:
Product Description
Catalog Number:
AG01F64O
Chemical Name:
Trifluoro-methanesulfonic acid 5,6-dihydro-2H-pyran-3-yl ester
CAS Number:
1227068-80-5
Molecular Formula:
C6H7F3O4S
Molecular Weight:
232.1776
IUPAC Name:
3,6-dihydro-2H-pyran-5-yl trifluoromethanesulfonate
InChI:
InChI=1S/C6H7F3O4S/c7-6(8,9)14(10,11)13-5-2-1-3-12-4-5/h2H,1,3-4H2
InChI Key:
NNSUUFNJFLMWSG-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)OC1=CCCOC1)(F)F
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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