(2-Methylpropylidyne)phosphane

CAS Number: 101055-68-9
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CC(C)C#P
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C4H7P
Molecular Weight
86.0736
Drug-likeness
-4.3488
CAS
101055-68-9
InChI key
AXPZHGFWZPSDGO-UHFFFAOYSA-N
SMILES
CC(C)C#P
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 101055-68-9
Molecule Name (2-Methylpropylidyne)phosphane
Molecular Formula C4H7P
SMILES CC(C)C#P
InChI InChI=1S/C4H7P/c1-4(2)3-5/h4H,1-2H3
InChI Key AXPZHGFWZPSDGO-UHFFFAOYSA-N
CanonicalSyTyLFy 6a578ab315aba287
TotalMolweight 86.0736
Molecular Weight 86.0736
MonoisotopicMass 86.028537
CLogP 1.1613
CLogS -1.187
TotalSurfaceArea 58.67
Drug-likeness -4.3488
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.8
Molecular Complexity 0.54931
Fragments 1
Non HAtoms 5
NonCHAtoms 1
Electronegative Atoms 1
Sp3Atoms 4
Symmetricatoms 1

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