(2-Methylpropylidene)cyclopropane

CAS Number: 62456-18-2
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CC(C)C=C1CC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H12
Molecular Weight
96.1723
Drug-likeness
-0.48112
CAS
62456-18-2
InChI key
GEJHFHTVZYDROD-UHFFFAOYSA-N
SMILES
CC(C)C=C1CC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62456-18-2
Molecule Name (2-Methylpropylidene)cyclopropane
Molecular Formula C7H12
SMILES CC(C)C=C1CC1
InChI InChI=1S/C7H12/c1-6(2)5-7-3-4-7/h5-6H,3-4H2,1-2H3
InChI Key GEJHFHTVZYDROD-UHFFFAOYSA-N
CanonicalSyTyLFy 87092692b91a9231
TotalMolweight 96.1723
Molecular Weight 96.1723
MonoisotopicMass 96.0939
CLogP 2.3295
CLogS -1.936
TotalSurfaceArea 89.25
Drug-likeness -0.48112
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.29003
Molecular Complexity 0.59725
Fragments 1
Non HAtoms 7
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 5
Symmetricatoms 2

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