Magnesium oxalate dihydrate

CAS Number: 6150-88-5
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[O-]C(C([O-])=O)=O.O.O.[Mg+2]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Mg.C2O4.H2O.H2O
Molecular Weight
88.018
Drug-likeness
-7.1615
CAS
6150-88-5
InChI key
PJYWQDOJMBTCCO-UHFFFAOYSA-L
SMILES
[O-]C(C([O-])=O)=O.O.O.[Mg+2]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6150-88-5
Molecule Name Magnesium oxalate dihydrate
Molecular Formula Mg.C2O4.H2O.H2O
SMILES [O-]C(C([O-])=O)=O.O.O.[Mg+2]
InChI InChI=1S/C2H2O4.Mg.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2
InChI Key PJYWQDOJMBTCCO-UHFFFAOYSA-L
CanonicalSyTyLFy c1dfd55b6f89e4ea
TotalMolweight 148.353
Molecular Weight 88.018
MonoisotopicMass 87.97966
CLogP -5.7274
CLogS 0.066
H Acceptors 4
TotalSurfaceArea 64.06
Relative PSA 0.85295
PolarSurfaceArea 80.26
Drug-likeness -7.1615
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.61488
Molecular Complexity 0.89588
Fragments 4
Non HAtoms 6
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 1
Sp3Atoms 2
Symmetricatoms 3
AcidicOxygens 2

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