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87925-97-1 | 1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-, propanoate
CAS No: 87925-97-1 Catalog No: AG004HJU MDL No:
Product Description
Catalog Number:
AG004HJU
Chemical Name:
1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-, propanoate
CAS Number:
87925-97-1
Molecular Formula:
C10H10F12O3
Molecular Weight:
406.1654
IUPAC Name:
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol;propanoic acid
InChI:
InChI=1S/C7H4F12O.C3H6O2/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20;1-2-3(4)5/h2,20H,1H2;2H2,1H3,(H,4,5)
InChI Key:
NGTZFODVAYAWFO-UHFFFAOYSA-N
SMILES:
OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.CCC(=O)O
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.044g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.168g/mol
Monoisotopic Mass:
406.044g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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