(2-Methoxyphenyl)(dimethyl)silanol

CAS Number: 609353-74-4
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COc(cccc1)c1[Si](C)(C)O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C9H14O2Si
Molecular Weight
182.294
Drug-likeness
-36.855
CAS
609353-74-4
InChI key
GGAIGWPEPIIGMK-UHFFFAOYSA-N
SMILES
COc(cccc1)c1[Si](C)(C)O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 609353-74-4
Molecule Name (2-Methoxyphenyl)(dimethyl)silanol
Molecular Formula C9H14O2Si
SMILES COc(cccc1)c1[Si](C)(C)O
InChI InChI=1S/C9H14O2Si/c1-11-8-6-4-5-7-9(8)12(2,3)10/h4-7,10H,1-3H3
InChI Key GGAIGWPEPIIGMK-UHFFFAOYSA-N
CanonicalSyTyLFy af0a9382963a9c68
TotalMolweight 182.294
Molecular Weight 182.294
MonoisotopicMass 182.076307
CLogP 2.7064
CLogS -0.563
H Acceptors 2
H Donors 1
TotalSurfaceArea 139.89
Relative PSA 0.16513
PolarSurfaceArea 29.46
Drug-likeness -36.855
Mutagenic none
Tumorigenic none
Reproductive Effective high
Irritant high
Shape Index 0.5
Molecula Flexibility 0.42892
Molecular Complexity 0.6553
Fragments 1
Non HAtoms 12
NonCHAtoms 3
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5
Symmetricatoms 1

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