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27854-31-5 | Decanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-
CAS No: 27854-31-5 Catalog No: AG002UY9 MDL No:
Product Description
Catalog Number:
AG002UY9
Chemical Name:
Decanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-
CAS Number:
27854-31-5
Molecular Formula:
C10H3F17O2
Molecular Weight:
478.1025
IUPAC Name:
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoic acid
InChI:
InChI=1S/C10H3F17O2/c11-3(12,1-2(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,28,29)
InChI Key:
XTBXSCIWOVSSGB-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.986g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
478.105g/mol
Monoisotopic Mass:
477.986g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Comparative acute freshwater hazard assessment and preliminary PNEC development for eight fluorinated acids. | Chemosphere 20120501 |
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