(2-Methylphenyl)phosphane

CAS Number: 53772-59-1
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Cc(cccc1)c1P
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H9P
Molecular Weight
124.122
Drug-likeness
-4.2999
CAS
53772-59-1
InChI key
KYLUAQBYONVMCP-UHFFFAOYSA-N
SMILES
Cc(cccc1)c1P
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 53772-59-1
Molecule Name (2-Methylphenyl)phosphane
Molecular Formula C7H9P
SMILES Cc(cccc1)c1P
InChI InChI=1S/C7H9P/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
InChI Key KYLUAQBYONVMCP-UHFFFAOYSA-N
CanonicalSyTyLFy f5e5dd3670d0ec63
TotalMolweight 124.122
Molecular Weight 124.122
MonoisotopicMass 124.044187
CLogP 2.006
CLogS -2.381
TotalSurfaceArea 78.77
Drug-likeness -4.2999
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.625
Molecular Complexity 0.64124
Fragments 1
Non HAtoms 8
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 2

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