Iodomanganese(1+) 2-methylprop-1-en-1-ide

CAS Number: 62485-91-0
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CC(C)=[CH-].[Mn+]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
IMn.C4H7
Molecular Weight
55.0996
Drug-likeness
-2.8841
CAS
62485-91-0
InChI key
CEIVOWSZUYUAGJ-UHFFFAOYSA-M
SMILES
CC(C)=[CH-].[Mn+]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62485-91-0
Molecule Name Iodomanganese(1+) 2-methylprop-1-en-1-ide
Molecular Formula IMn.C4H7
SMILES CC(C)=[CH-].[Mn+]I
InChI InChI=1S/C4H7.HI.Mn/c1-4(2)3;;/h1H,2-3H3;1H;/q-1;;+2/p-1
InChI Key CEIVOWSZUYUAGJ-UHFFFAOYSA-M
CanonicalSyTyLFy 2a23bc22cf1b17c6
TotalMolweight 236.938
Molecular Weight 55.0996
MonoisotopicMass 55.054775
CLogP 1.4233
CLogS -1.317
TotalSurfaceArea 42.73
Drug-likeness -2.8841
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Fragments 2
Non HAtoms 4
Sp3Atoms 2
Symmetricatoms 1

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