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Perfluoroheptanoic-13C Acid

CAT: 1596-AR-P30877-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P30877-01Size:10 Units
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CAS Number
864071-03-4
Molecular Formula
C613CHF13O2
Molecular Weight
365.05
API Name
Perfluoro acid

Chemical Information

Perfluoroheptanoic Acid-13C
CAS Number864071-03-4
PubChem CID140494111
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro(113C)heptanoic acid
Molecular FormulaC7HF13O2
Molecular Weight365.05
XLogP4.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity448
SMILES
[13C](=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)/i1+1
InChIKey
ZWBAMYVPMDSJGQ-OUBTZVSYSA-N
Chemical Structure
2D Structure
2D structure of Perfluoroheptanoic Acid-13C
CAS: 864071-03-4
CID: 140494111
Formula: C7HF13O2
MW: 365.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight365.05
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Exact Mass364.9802502
Monoisotopic Mass364.9802502
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity448
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes