2-Methyl-2-propanol, potassium salt

CAS Number: 865-47-4
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CC(C)(C)[O-].[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C4H9O
Molecular Weight
73.1145
Drug-likeness
-11.94
CAS
865-47-4
InChI key
LPNYRYFBWFDTMA-UHFFFAOYSA-N
SMILES
CC(C)(C)[O-].[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 865-47-4
Molecule Name 2-Methyl-2-propanol, potassium salt
Molecular Formula K.C4H9O
SMILES CC(C)(C)[O-].[K+]
InChI InChI=1S/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChI Key LPNYRYFBWFDTMA-UHFFFAOYSA-N
CanonicalSyTyLFy ebecdce2e826e33b
TotalMolweight 112.212
Molecular Weight 73.1145
MonoisotopicMass 73.06534
CLogP -1.2856
CLogS -0.964
H Acceptors 1
TotalSurfaceArea 68.22
Relative PSA 0.20932
PolarSurfaceArea 23.06
Drug-likeness -11.94
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 5
NonCHAtoms 1
Electronegative Atoms 1
Sp3Atoms 5
Symmetricatoms 2

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