Potassium 3-methylpenta-2,4-dien-1-ide

CAS Number: 74206-00-1
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[CH2-]C=C(C)C=C.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C6H9
Molecular Weight
81.1375
Drug-likeness
-5.6013
CAS
74206-00-1
InChI key
GZSOABNBYZIOCL-UHFFFAOYSA-N
SMILES
[CH2-]C=C(C)C=C.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 74206-00-1
Molecule Name Potassium 3-methylpenta-2,4-dien-1-ide
Molecular Formula K.C6H9
SMILES [CH2-]C=C(C)C=C.[K+]
InChI InChI=1S/C6H9.K/c1-4-6(3)5-2;/h4-5H,1-2H2,3H3;/q-1;+1
InChI Key GZSOABNBYZIOCL-UHFFFAOYSA-N
CanonicalSyTyLFy 206336ca0f4423b4
TotalMolweight 120.235
Molecular Weight 81.1375
MonoisotopicMass 81.070425
CLogP 2.0205
CLogS -1.629
TotalSurfaceArea 68.26
Drug-likeness -5.6013
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.029672
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 6
Rotatable Bond 1
Sp3Atoms 2

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