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827348-05-0 | 2H-Pyran-2-one, 5,5-difluoro-5,6-dihydro-6-pentyl-
CAS No: 827348-05-0 Catalog No: AG004UUJ MDL No:
Product Description
Catalog Number:
AG004UUJ
Chemical Name:
2H-Pyran-2-one, 5,5-difluoro-5,6-dihydro-6-pentyl-
CAS Number:
827348-05-0
Molecular Formula:
C10H14F2O2
Molecular Weight:
204.2138
IUPAC Name:
3,3-difluoro-2-pentyl-2H-pyran-6-one
InChI:
InChI=1S/C10H14F2O2/c1-2-3-4-5-8-10(11,12)7-6-9(13)14-8/h6-8H,2-5H2,1H3
InChI Key:
CFFRFSPMWKGTGI-UHFFFAOYSA-N
SMILES:
CCCCCC1OC(=O)C=CC1(F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.217g/mol
Monoisotopic Mass:
204.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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