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77953-71-0 | 3h-heptafluoro-2,2,4,4-tetrahydroxypentane
CAS No: 77953-71-0 Catalog No: AG005E9S MDL No:MFCD02093308
Product Description
Catalog Number:
AG005E9S
Chemical Name:
3h-heptafluoro-2,2,4,4-tetrahydroxypentane
CAS Number:
77953-71-0
Molecular Formula:
C5H5F7O4
Molecular Weight:
262.0796
MDL Number:
MFCD02093308
IUPAC Name:
1,1,1,3,5,5,5-heptafluoropentane-2,2,4,4-tetrol
InChI:
InChI=1S/C5H5F7O4/c6-1(2(13,14)4(7,8)9)3(15,16)5(10,11)12/h1,13-16H
InChI Key:
NZCXKNVJJQJKKN-UHFFFAOYSA-N
SMILES:
FC(C(C(F)(F)F)(O)O)C(C(F)(F)F)(O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
262.08g/mol
Monoisotopic Mass:
262.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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