Potassium 2,4-dimethylpenta-2,4-dien-1-ide

CAS Number: 74205-98-4
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[CH2-]C(C)=CC(C)=C.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C7H11
Molecular Weight
95.1643
Drug-likeness
-10.091
CAS
74205-98-4
InChI key
CYCPJTGPOYAGMM-UHFFFAOYSA-N
SMILES
[CH2-]C(C)=CC(C)=C.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 74205-98-4
Molecule Name Potassium 2,4-dimethylpenta-2,4-dien-1-ide
Molecular Formula K.C7H11
SMILES [CH2-]C(C)=CC(C)=C.[K+]
InChI InChI=1S/C7H11.K/c1-6(2)5-7(3)4;/h5H,1,3H2,2,4H3;/q-1;+1
InChI Key CYCPJTGPOYAGMM-UHFFFAOYSA-N
CanonicalSyTyLFy 5784d21a8d6b85b7
TotalMolweight 134.262
Molecular Weight 95.1643
MonoisotopicMass 95.086075
CLogP 2.6269
CLogS -1.753
TotalSurfaceArea 78.73
Drug-likeness -10.091
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.44202
Molecular Complexity 0.59725
Fragments 2
Non HAtoms 7
Rotatable Bond 1
Sp3Atoms 3

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