2-Propen-1-ol, potassium salt

CAS Number: 33374-41-3
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C=CC[O-].[K+]
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
K.C3H5O
Molecular Weight
57.0717
Drug-likeness
-4.7947
CAS
33374-41-3
InChI key
BKPMJZIIPMGMPS-UHFFFAOYSA-N
SMILES
C=CC[O-].[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 33374-41-3
Molecule Name 2-Propen-1-ol, potassium salt
Molecular Formula K.C3H5O
SMILES C=CC[O-].[K+]
InChI InChI=1S/C3H5O.K/c1-2-3-4;/h2H,1,3H2;/q-1;+1
InChI Key BKPMJZIIPMGMPS-UHFFFAOYSA-N
CanonicalSyTyLFy a214598b666978b3
TotalMolweight 96.1697
Molecular Weight 57.0717
MonoisotopicMass 57.03404
CLogP -1.7566
CLogS -0.686
H Acceptors 1
TotalSurfaceArea 59.33
Relative PSA 0.24069
PolarSurfaceArea 23.06
Drug-likeness -4.7947
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.48996
Fragments 2
Non HAtoms 4
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Sp3Atoms 2

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