Magnesium formate dihydrate

CAS Number: 6150-82-9
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[O-]C=O.[O-]C=O.O.O.[Mg+2]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Mg.CHO2.CHO2.H2O.H2O
Molecular Weight
45.0169
Drug-likeness
-2.125
CAS
6150-82-9
InChI key
JGEHGXYXBKVHLW-UHFFFAOYSA-L
SMILES
[O-]C=O.[O-]C=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 6150-82-9
Molecule Name Magnesium formate dihydrate
Molecular Formula Mg.CHO2.CHO2.H2O.H2O
SMILES [O-]C=O.[O-]C=O.O.O.[Mg+2]
InChI InChI=1S/2CH2O2.Mg.2H2O/c2*2-1-3;;;/h2*1H,(H,2,3);;2*1H2/q;;+2;;/p-2
InChI Key JGEHGXYXBKVHLW-UHFFFAOYSA-L
CanonicalSyTyLFy db6746ce039d7c3e
TotalMolweight 150.369
Molecular Weight 45.0169
MonoisotopicMass 44.997655
CLogP -2.7459
CLogS -0.628
H Acceptors 2
TotalSurfaceArea 40.57
Relative PSA 0.6734
PolarSurfaceArea 40.13
Drug-likeness -2.125
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Fragments 5
Non HAtoms 3
NonCHAtoms 2
Electronegative Atoms 2
Sp3Atoms 1
AcidicOxygens 1

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