(2E)-2-Nonene

CAS Number: 6434-78-2
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CCCCCC/C=C/C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C9H18
Molecular Weight
126.242
Drug-likeness
-20.621
CAS
6434-78-2
InChI key
IICQZTQZQSBHBY-HWKANZROSA-N
SMILES
CCCCCC/C=C/C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6434-78-2
Molecule Name (2E)-2-Nonene
Molecular Formula C9H18
SMILES CCCCCC/C=C/C
InChI InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+
InChI Key IICQZTQZQSBHBY-HWKANZROSA-N
CanonicalSyTyLFy 28ea7f50b784b5fc
TotalMolweight 126.242
Molecular Weight 126.242
MonoisotopicMass 126.14085
CLogP 3.9058
CLogS -2.646
TotalSurfaceArea 133.32
Drug-likeness -20.621
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.5261
Molecular Complexity 0.40236
Fragments 1
Non HAtoms 9
Rotatable Bond 5
Sp3Atoms 7

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