(2,6-Dimethoxyphenyl)(trimethyl)stannane

CAS Number: 55204-81-4
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COc1cccc(OC)c1[Sn](C)(C)C
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: low
Formula
C11H18O2Sn
Molecular Weight
300.972
Drug-likeness
-7.2346
CAS
55204-81-4
InChI key
GWCVEBPZRXQRNT-UHFFFAOYSA-N
SMILES
COc1cccc(OC)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 55204-81-4
Molecule Name (2,6-Dimethoxyphenyl)(trimethyl)stannane
Molecular Formula C11H18O2Sn
SMILES COc1cccc(OC)c1[Sn](C)(C)C
InChI InChI=1S/C8H9O2.3CH3.Sn/c1-9-7-4-3-5-8(6-7)10-2;;;;/h3-5H,1-2H3;3*1H3;
InChI Key GWCVEBPZRXQRNT-UHFFFAOYSA-N
CanonicalSyTyLFy 65565766f738146d
TotalMolweight 300.972
Molecular Weight 300.972
MonoisotopicMass 302.03288
CLogP 3.3331
CLogS -2.041
H Acceptors 2
TotalSurfaceArea 168.06
Relative PSA 0.11901
PolarSurfaceArea 18.46
Drug-likeness -7.2346
Mutagenic high
Tumorigenic high
Reproductive Effective low
Irritant low
Nasty Functions unwanted atom
Shape Index 0.5
Molecula Flexibility 0.37927
Molecular Complexity 0.58251
Fragments 1
Non HAtoms 14
NonCHAtoms 3
Metal Atoms 1
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 7
Symmetricatoms 6

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