Manganese acetate tetrahydrate

CAS Number: 6156-78-1
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CC([O-])=O.CC([O-])=O.O.O.O.O.[Mn+2]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Mn.C2H3O2.C2H3O2.H2O.H2O.H2O.H2O
Molecular Weight
59.0438
Drug-likeness
-6.1723
CAS
6156-78-1
InChI key
CESXSDZNZGSWSP-UHFFFAOYSA-L
SMILES
CC([O-])=O.CC([O-])=O.O.O.O.O.[Mn+2]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6156-78-1
Molecule Name Manganese acetate tetrahydrate
Molecular Formula Mn.C2H3O2.C2H3O2.H2O.H2O.H2O.H2O
SMILES CC([O-])=O.CC([O-])=O.O.O.O.O.[Mn+2]
InChI InChI=1S/2C2H4O2.Mn.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2
InChI Key CESXSDZNZGSWSP-UHFFFAOYSA-L
CanonicalSyTyLFy 36410f46cfb729d2
TotalMolweight 245.085
Molecular Weight 59.0438
MonoisotopicMass 59.013305
CLogP -2.3751
CLogS -0.459
H Acceptors 2
TotalSurfaceArea 51.04
Relative PSA 0.53527
PolarSurfaceArea 40.13
Drug-likeness -6.1723
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Fragments 7
Non HAtoms 4
NonCHAtoms 2
Electronegative Atoms 2
Sp3Atoms 2
AcidicOxygens 1

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