(2-Methoxyethyl)(phenyl)phosphane

CAS Number: 116627-06-6
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COCCPc1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C9H13OP
Molecular Weight
168.175
Drug-likeness
-9.3547
CAS
116627-06-6
InChI key
BMSXCZGGNAWVAD-UHFFFAOYSA-N
SMILES
COCCPc1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 116627-06-6
Molecule Name (2-Methoxyethyl)(phenyl)phosphane
Molecular Formula C9H13OP
SMILES COCCPc1ccccc1
InChI InChI=1S/C9H13OP/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChI Key BMSXCZGGNAWVAD-UHFFFAOYSA-N
CanonicalSyTyLFy 63535fa30a9b15ae
TotalMolweight 168.175
Molecular Weight 168.175
MonoisotopicMass 168.070402
CLogP 1.7998
CLogS -2.322
H Acceptors 1
TotalSurfaceArea 123.04
Relative PSA 0.081274
PolarSurfaceArea 9.23
Drug-likeness -9.3547
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.81818
Molecula Flexibility 0.59563
Molecular Complexity 0.51299
Fragments 1
Non HAtoms 11
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 4
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5
Symmetricatoms 2

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