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Home > Fluorides > 125070-38-4
125070-38-4 | 1,2-Heptanediol, 4,4,5,5,6,6,7,7,7-nonafluoro-
CAS No: 125070-38-4 Catalog No: AG000N30 MDL No:MFCD03424478
Product Description
Catalog Number:
AG000N30
Chemical Name:
1,2-Heptanediol, 4,4,5,5,6,6,7,7,7-nonafluoro-
CAS Number:
125070-38-4
Molecular Formula:
C7H7F9O2
Molecular Weight:
294.1149
MDL Number:
MFCD03424478
IUPAC Name:
4,4,5,5,6,6,7,7,7-nonafluoroheptane-1,2-diol
InChI:
InChI=1S/C7H7F9O2/c8-4(9,1-3(18)2-17)5(10,11)6(12,13)7(14,15)16/h3,17-18H,1-2H2
InChI Key:
FAQXMAJQQVDRQM-UHFFFAOYSA-N
SMILES:
OCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.117g/mol
Monoisotopic Mass:
294.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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