Ethanol, 2-ethoxy-, magnesium salt

CAS Number: 14064-03-0
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CCOCC[O-].CCOCC[O-].[Mg+2]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Mg.C4H9O2.C4H9O2
Molecular Weight
89.1135
Drug-likeness
-3.7048
CAS
14064-03-0
InChI key
CVPGMAAATOZCID-UHFFFAOYSA-N
SMILES
CCOCC[O-].CCOCC[O-].[Mg+2]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 14064-03-0
Molecule Name Ethanol, 2-ethoxy-, magnesium salt
Molecular Formula Mg.C4H9O2.C4H9O2
SMILES CCOCC[O-].CCOCC[O-].[Mg+2]
InChI InChI=1S/2C4H9O2.Mg/c2*1-2-6-4-3-5;/h2*2-4H2,1H3;/q2*-1;+2
InChI Key CVPGMAAATOZCID-UHFFFAOYSA-N
CanonicalSyTyLFy 8da45732f44360d
TotalMolweight 202.532
Molecular Weight 89.1135
MonoisotopicMass 89.060255
CLogP -2.118
CLogS -0.398
H Acceptors 2
TotalSurfaceArea 84.57
Relative PSA 0.2871
PolarSurfaceArea 32.29
Drug-likeness -3.7048
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.63105
Molecular Complexity 0.69315
Fragments 3
Non HAtoms 6
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Sp3Atoms 6

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