PUBCHEM_71354070

CAS Number: 156119-70-9
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COC.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C2H6O
Molecular Weight
46.0686
Drug-likeness
-2.2605
CAS
156119-70-9
InChI key
UATUUIOCZUPRJO-UHFFFAOYSA-N
SMILES
COC.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 156119-70-9
Molecule Name PUBCHEM_71354070
Molecular Formula K.C2H6O
SMILES COC.[K+]
InChI InChI=1S/C2H6O.K/c1-3-2;/h1-2H3;/q;+1
InChI Key UATUUIOCZUPRJO-UHFFFAOYSA-N
CanonicalSyTyLFy a32dfd9a3a762d93
TotalMolweight 85.1666
Molecular Weight 46.0686
MonoisotopicMass 46.041865
CLogP 0.0721
CLogS -0.305
H Acceptors 1
TotalSurfaceArea 48.02
Relative PSA 0.20825
PolarSurfaceArea 9.23
Drug-likeness -2.2605
Mutagenic none
Tumorigenic none
Reproductive Effective high
Irritant none
Shape Index 1
Fragments 2
Non HAtoms 3
NonCHAtoms 1
Electronegative Atoms 1
Sp3Atoms 3
Symmetricatoms 1

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