Potassium cyclopenta-1,3-dien-1-ide

CAS Number: 30994-24-2
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C1C=CC=[C-]1.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C5H5
Molecular Weight
65.0947
Drug-likeness
-1.7224
CAS
30994-24-2
InChI key
IZWIPIIVPHXLTN-UHFFFAOYSA-N
SMILES
C1C=CC=[C-]1.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 30994-24-2
Molecule Name Potassium cyclopenta-1,3-dien-1-ide
Molecular Formula K.C5H5
SMILES C1C=CC=[C-]1.[K+]
InChI InChI=1S/C5H5.K/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+1
InChI Key IZWIPIIVPHXLTN-UHFFFAOYSA-N
CanonicalSyTyLFy 8279fc63e273f13b
TotalMolweight 104.193
Molecular Weight 65.0947
MonoisotopicMass 65.039125
CLogP 0.9549
CLogS -1.424
TotalSurfaceArea 53.51
Drug-likeness -1.7224
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.80472
Fragments 2
Non HAtoms 5
Rings Closures 1
Small Rings 1
Sp3Atoms 1

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