Magnesium dipropan-1-ide

CAS Number: 4907-44-2
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[CH2-]CC.[CH2-]CC.[Mg+2]
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
Mg.C3H7.C3H7
Molecular Weight
43.0886
Drug-likeness
-2.4599
CAS
4907-44-2
InChI key
VASHELUIWVEEAU-UHFFFAOYSA-N
SMILES
[CH2-]CC.[CH2-]CC.[Mg+2]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 4907-44-2
Molecule Name Magnesium dipropan-1-ide
Molecular Formula Mg.C3H7.C3H7
SMILES [CH2-]CC.[CH2-]CC.[Mg+2]
InChI InChI=1S/2C3H7.Mg/c2*1-3-2;/h2*1,3H2,2H3;/q2*-1;+2
InChI Key VASHELUIWVEEAU-UHFFFAOYSA-N
CanonicalSyTyLFy be89458fb72b384d
TotalMolweight 110.482
Molecular Weight 43.0886
MonoisotopicMass 43.054775
CLogP 0.943
CLogS -1.254
TotalSurfaceArea 32.77
Drug-likeness -2.4599
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Fragments 3
Non HAtoms 3
Sp3Atoms 3

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