Potassium oleate

CAS Number: 143-18-0
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CCCCCCCC/C=C\CCCCCCCC([O-])=O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C18H33O2
Molecular Weight
281.458
Drug-likeness
-26.3
CAS
143-18-0
InChI key
MLICVSDCCDDWMD-UHFFFAOYSA-M
SMILES
CCCCCCCC/C=C\CCCCCCCC([O-])=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 143-18-0
Molecule Name Potassium oleate
Molecular Formula K.C18H33O2
SMILES CCCCCCCC/C=C\CCCCCCCC([O-])=O.[K+]
InChI InChI=1S/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1
InChI Key MLICVSDCCDDWMD-UHFFFAOYSA-M
CanonicalSyTyLFy d73302d139cbced3
TotalMolweight 320.556
Molecular Weight 281.458
MonoisotopicMass 281.248055
CLogP 4.6431
CLogS -4.551
H Acceptors 2
TotalSurfaceArea 270.18
Relative PSA 0.10112
PolarSurfaceArea 40.13
Drug-likeness -26.3
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.95
Molecula Flexibility 0.62299
Molecular Complexity 0.37701
Fragments 2
Non HAtoms 20
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 15
Sp3Atoms 16
AcidicOxygens 1

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