Potassium propan-2-olate

CAS Number: 6831-82-9
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CC(C)[O-].[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C3H7O
Molecular Weight
59.0876
Drug-likeness
-5.24
CAS
6831-82-9
InChI key
WQKGAJDYBZOFSR-UHFFFAOYSA-N
SMILES
CC(C)[O-].[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6831-82-9
Molecule Name Potassium propan-2-olate
Molecular Formula K.C3H7O
SMILES CC(C)[O-].[K+]
InChI InChI=1S/C3H7O.K/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChI Key WQKGAJDYBZOFSR-UHFFFAOYSA-N
CanonicalSyTyLFy 20c27e2110df6a9b
TotalMolweight 98.1856
Molecular Weight 59.0876
MonoisotopicMass 59.04969
CLogP -1.6662
CLogS -0.855
H Acceptors 1
TotalSurfaceArea 58.05
Relative PSA 0.24599
PolarSurfaceArea 23.06
Drug-likeness -5.24
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Fragments 2
Non HAtoms 4
NonCHAtoms 1
Electronegative Atoms 1
Sp3Atoms 4
Symmetricatoms 1

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