(2-Ethoxyethenyl)(diethyl)oxo-lambda~5~-phosphane

CAS Number: 61753-09-1
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CCOC=CP(CC)(CC)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C8H17O2P
Molecular Weight
176.195
Drug-likeness
-15.977
CAS
61753-09-1
InChI key
OKDBRFHWRRCWDU-UHFFFAOYSA-N
SMILES
CCOC=CP(CC)(CC)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 61753-09-1
Molecule Name (2-Ethoxyethenyl)(diethyl)oxo-lambda~5~-phosphane
Molecular Formula C8H17O2P
SMILES CCOC=CP(CC)(CC)=O
InChI InChI=1S/C8H17O2P/c1-4-10-7-8-11(9,5-2)6-3/h7-8H,4-6H2,1-3H3
InChI Key OKDBRFHWRRCWDU-UHFFFAOYSA-N
CanonicalSyTyLFy 9fe2fdc1bf0cd239
TotalMolweight 176.195
Molecular Weight 176.195
MonoisotopicMass 176.096617
CLogP 1.0055
CLogS 0.698
H Acceptors 2
TotalSurfaceArea 151.83
Relative PSA 0.17796
PolarSurfaceArea 36.11
Drug-likeness -15.977
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.72727
Molecula Flexibility 0.75377
Molecular Complexity 0.49698
Fragments 1
Non HAtoms 11
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 5
Sp3Atoms 8
Symmetricatoms 2

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