Hydroxy(methacrylato-O)magnesium

CAS Number: 97171-78-3
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CC(C([O-])=O)=C.[OH-].[Mg+2]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
Mg.C4H5O2.HO
Molecular Weight
85.0817
Drug-likeness
-13.958
CAS
97171-78-3
InChI key
OWQFHNKFMWZJKG-UHFFFAOYSA-L
SMILES
CC(C([O-])=O)=C.[OH-].[Mg+2]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: high
PropertyValue
CAS Number 97171-78-3
Molecule Name Hydroxy(methacrylato-O)magnesium
Molecular Formula Mg.C4H5O2.HO
SMILES CC(C([O-])=O)=C.[OH-].[Mg+2]
InChI InChI=1S/C4H6O2.Mg.H2O/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);;1H2/q;+2;/p-2
InChI Key OWQFHNKFMWZJKG-UHFFFAOYSA-L
CanonicalSyTyLFy ea85ad9b21e59aa6
TotalMolweight 126.394
Molecular Weight 85.0817
MonoisotopicMass 85.028955
CLogP -1.4998
CLogS -0.792
H Acceptors 2
TotalSurfaceArea 73.79
Relative PSA 0.37024
PolarSurfaceArea 40.13
Drug-likeness -13.958
Mutagenic none
Tumorigenic none
Reproductive Effective high
Irritant low
Shape Index 0.66667
Molecula Flexibility 0.72193
Molecular Complexity 0.89588
Fragments 3
Non HAtoms 6
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 2
AcidicOxygens 1

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