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139503-12-1 | 2H-Pyran-4-ol, 4-(3,5-difluorophenyl)tetrahydro-
CAS No: 139503-12-1 Catalog No: AG001B57 MDL No:MFCD11849468
Product Description
Catalog Number:
AG001B57
Chemical Name:
2H-Pyran-4-ol, 4-(3,5-difluorophenyl)tetrahydro-
CAS Number:
139503-12-1
Molecular Formula:
C11H12F2O2
Molecular Weight:
214.2086
MDL Number:
MFCD11849468
IUPAC Name:
4-(3,5-difluorophenyl)oxan-4-ol
InChI:
InChI=1S/C11H12F2O2/c12-9-5-8(6-10(13)7-9)11(14)1-3-15-4-2-11/h5-7,14H,1-4H2
InChI Key:
IAOXCRBWNOMXEF-UHFFFAOYSA-N
SMILES:
OC1(CCOCC1)c1cc(F)cc(c1)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.212g/mol
Monoisotopic Mass:
214.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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