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Perfluorovaleric acid

CAT: 0013-GTR19267114-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19267114-02Size:10 mg
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Description
Perfluorovaleric acid is a key indicator of PFC pollution and is associated with spatial heterogeneity in microbial taxonomy.
CAS Number
2706-90-3
Smiles
O=C (O) C (F) (F) C (F) (F) C (F) (F) C (F) (F) F
Molecular Formula
C5HF9O2
Molecular Weight
264.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Perfluoropentanoic acid

Perfluoropentanoic acid is a monocarboxylic acid that is perfluorinated pentanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to a valeric acid.

CAS Number2706-90-3
PubChem CID75921
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
Molecular FormulaC5HF9O2
Molecular Weight264.05
XLogP2.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity291
SMILES
C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
InChIKey
CXZGQIAOTKWCDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluoropentanoic acid
CAS: 2706-90-3
CID: 75921
Formula: C5HF9O2
MW: 264.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.05
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass263.98328273
Monoisotopic Mass263.98328273
Topological Polar Surface Area37.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity291
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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