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Chemical structure of CAS 335-76-2

Perfluorodecanoic acid

CAS No.335-76-2
MDL No.MFCD00004175
MFC10HF19O2
MW514.08
InChI KeyPCIUEQPBYFRTEM-UHFFFAOYSA-N
CommercialCapacity
CustomizablePurity
ReadyProduction Status
27 Feb 2025Updated
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Standards

GMP

Identifiers

Canonical SMILESC(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Isomeric SMILESC(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid
InChIInChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
InChI KeyPCIUEQPBYFRTEM-UHFFFAOYSA-N

Computational Chemistry

Heavy Atom Count31Rotatable Bond Count8
Atom Stereo Count0Bond Stereo Count0
HBA1HBD1
TPSA37.300 ŲCharge0
Exact Mass513.96732Complexity700.97
pKa2.095XLogP5.716

Regulatory Information

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