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129278-24-6 | 2H-Pyran, tetrahydro-4-methyl-2-(2,2,2-trifluoroethoxy)-, cis- (9CI)
CAS No: 129278-24-6 Catalog No: AG000Z1T MDL No:
Product Description
Catalog Number:
AG000Z1T
Chemical Name:
2H-Pyran, tetrahydro-4-methyl-2-(2,2,2-trifluoroethoxy)-, cis- (9CI)
CAS Number:
129278-24-6
Molecular Formula:
C8H13F3O2
Molecular Weight:
198.1828
IUPAC Name:
4-methyl-2-(2,2,2-trifluoroethoxy)oxane
InChI:
InChI=1S/C8H13F3O2/c1-6-2-3-12-7(4-6)13-5-8(9,10)11/h6-7H,2-5H2,1H3
InChI Key:
KIHRVUONLPVRJI-UHFFFAOYSA-N
SMILES:
C[C@H]1CCO[C@H](C1)OCC(F)(F)F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.185g/mol
Monoisotopic Mass:
198.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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