(2-Ethoxyphenyl)(trimethyl)stannane

CAS Number: 55204-75-6
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CCOc(cccc1)c1[Sn](C)(C)C
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: low
Formula
C11H18OSn
Molecular Weight
284.973
Drug-likeness
-8.9831
CAS
55204-75-6
InChI key
INKBXZZIFKSBEJ-UHFFFAOYSA-N
SMILES
CCOc(cccc1)c1[Sn](C)(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: low
PropertyValue
CAS Number 55204-75-6
Molecule Name (2-Ethoxyphenyl)(trimethyl)stannane
Molecular Formula C11H18OSn
SMILES CCOc(cccc1)c1[Sn](C)(C)C
InChI InChI=1S/C8H9O.3CH3.Sn/c1-2-9-8-6-4-3-5-7-8;;;;/h3-6H,2H2,1H3;3*1H3;
InChI Key INKBXZZIFKSBEJ-UHFFFAOYSA-N
CanonicalSyTyLFy fcb678764b2928eb
TotalMolweight 284.973
Molecular Weight 284.973
MonoisotopicMass 286.037965
CLogP 3.8094
CLogS -2.323
H Acceptors 1
TotalSurfaceArea 159.56
Relative PSA 0.062672
PolarSurfaceArea 9.23
Drug-likeness -8.9831
Mutagenic high
Tumorigenic high
Reproductive Effective low
Irritant low
Nasty Functions unwanted atom
Shape Index 0.53846
Molecula Flexibility 0.41375
Molecular Complexity 0.63444
Fragments 1
Non HAtoms 13
NonCHAtoms 2
Metal Atoms 1
Electronegative Atoms 1
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 6
Symmetricatoms 2

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