Ethoxypropoxymagnesium

CAS Number: 94159-65-6
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CCC[O-].CC[O-].[Mg+2]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Mg.C3H7O.C2H5O
Molecular Weight
59.0876
Drug-likeness
-2.5319
CAS
94159-65-6
InChI key
CCLBJCVPJCHEQD-UHFFFAOYSA-N
SMILES
CCC[O-].CC[O-].[Mg+2]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 94159-65-6
Molecule Name Ethoxypropoxymagnesium
Molecular Formula Mg.C3H7O.C2H5O
SMILES CCC[O-].CC[O-].[Mg+2]
InChI InChI=1S/C3H7O.C2H5O.Mg/c1-2-3-4;1-2-3;/h2-3H2,1H3;2H2,1H3;/q2*-1;+2
InChI Key CCLBJCVPJCHEQD-UHFFFAOYSA-N
CanonicalSyTyLFy ea65a3e1cf1e4fab
TotalMolweight 128.453
Molecular Weight 59.0876
MonoisotopicMass 59.04969
CLogP -1.5711
CLogS -0.747
H Acceptors 1
TotalSurfaceArea 60.81
Relative PSA 0.23483
PolarSurfaceArea 23.06
Drug-likeness -2.5319
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.71082
Fragments 3
Non HAtoms 4
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Sp3Atoms 4

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