Magnesium butan-1-ide ethoxide (1/1/1)

CAS Number: 10175-35-6
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[CH2-]CCC.CC[O-].[Mg+2]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Mg.C2H5O.C4H9
Molecular Weight
57.1155
Drug-likeness
-2.68
CAS
10175-35-6
InChI key
GXUXDVGWTIJBNT-UHFFFAOYSA-N
SMILES
[CH2-]CCC.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 10175-35-6
Molecule Name Magnesium butan-1-ide ethoxide (1/1/1)
Molecular Formula Mg.C2H5O.C4H9
SMILES [CH2-]CCC.CC[O-].[Mg+2]
InChI InChI=1S/C4H9.C2H5O.Mg/c1-3-4-2;1-2-3;/h1,3-4H2,2H3;2H2,1H3;/q2*-1;+2
InChI Key GXUXDVGWTIJBNT-UHFFFAOYSA-N
CanonicalSyTyLFy fedb6d6f4a83bb54
TotalMolweight 126.481
Molecular Weight 57.1155
MonoisotopicMass 57.070425
CLogP 1.3974
CLogS -1.524
TotalSurfaceArea 46.53
Drug-likeness -2.68
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.71082
Fragments 3
Non HAtoms 4
Rotatable Bond 1
Sp3Atoms 4

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