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Home > Fluorides > 139632-14-7
139632-14-7 | 2H-Pyran-2-one, 5,5-difluorotetrahydro-4-hydroxy-4-methyl-, (S)- (9CI)
CAS No: 139632-14-7 Catalog No: AG001BEP MDL No:
Product Description
Catalog Number:
AG001BEP
Chemical Name:
2H-Pyran-2-one, 5,5-difluorotetrahydro-4-hydroxy-4-methyl-, (S)- (9CI)
CAS Number:
139632-14-7
Molecular Formula:
C6H8F2O3
Molecular Weight:
166.1227
IUPAC Name:
5,5-difluoro-4-hydroxy-4-methyloxan-2-one
InChI:
InChI=1S/C6H8F2O3/c1-5(10)2-4(9)11-3-6(5,7)8/h10H,2-3H2,1H3
InChI Key:
WIKBDHVKTNLBAG-UHFFFAOYSA-N
SMILES:
O=C1OCC([C@@](C1)(C)O)(F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.124g/mol
Monoisotopic Mass:
166.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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