Magnesium propionate

CAS Number: 557-27-7
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CCC([O-])=O.CCC([O-])=O.[Mg+2]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Mg.C3H5O2.C3H5O2
Molecular Weight
73.0707
Drug-likeness
-1.2487
CAS
557-27-7
InChI key
CQQJGTPWCKCEOQ-UHFFFAOYSA-L
SMILES
CCC([O-])=O.CCC([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 557-27-7
Molecule Name Magnesium propionate
Molecular Formula Mg.C3H5O2.C3H5O2
SMILES CCC([O-])=O.CCC([O-])=O.[Mg+2]
InChI InChI=1S/2C3H6O2.Mg/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
InChI Key CQQJGTPWCKCEOQ-UHFFFAOYSA-L
CanonicalSyTyLFy 6bdecb70e068ba1f
TotalMolweight 170.446
Molecular Weight 73.0707
MonoisotopicMass 73.028955
CLogP -1.9207
CLogS -0.729
H Acceptors 2
TotalSurfaceArea 64.8
Relative PSA 0.4216
PolarSurfaceArea 40.13
Drug-likeness -1.2487
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.8
Molecula Flexibility 0.78682
Molecular Complexity 0.69315
Fragments 3
Non HAtoms 5
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 3
AcidicOxygens 1

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