Potassium 2-fluoroprop-2-enoate

CAS Number: 116653-51-1
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C=C(C([O-])=O)F.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C3H2O2F
Molecular Weight
89.0449
Drug-likeness
-12.021
CAS
116653-51-1
InChI key
PVOGGFCAPHNPQR-UHFFFAOYSA-M
SMILES
C=C(C([O-])=O)F.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 116653-51-1
Molecule Name Potassium 2-fluoroprop-2-enoate
Molecular Formula K.C3H2O2F
SMILES C=C(C([O-])=O)F.[K+]
InChI InChI=1S/C3H3FO2.K/c1-2(4)3(5)6;/h1H2,(H,5,6);/q;+1/p-1
InChI Key PVOGGFCAPHNPQR-UHFFFAOYSA-M
CanonicalSyTyLFy 1a0a4b7030345e8d
TotalMolweight 128.143
Molecular Weight 89.0449
MonoisotopicMass 89.003883
CLogP -1.5718
CLogS -1.181
H Acceptors 2
TotalSurfaceArea 67.88
Relative PSA 0.40247
PolarSurfaceArea 40.13
Drug-likeness -12.021
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.72949
Molecular Complexity 0.89588
Fragments 2
Non HAtoms 6
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Sp3Atoms 1
AcidicOxygens 1

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