(2-Methylcyclopropyl)benzene

CAS Number: 3145-76-4
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CC(C1)C1c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H12
Molecular Weight
132.205
Drug-likeness
0.034012
CAS
3145-76-4
InChI key
OXZUHSZKOFUBFW-UHFFFAOYSA-N
SMILES
CC(C1)C1c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 3145-76-4
Molecule Name (2-Methylcyclopropyl)benzene
Molecular Formula C10H12
SMILES CC(C1)C1c1ccccc1
InChI InChI=1S/C10H12/c1-8-7-10(8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChI Key OXZUHSZKOFUBFW-UHFFFAOYSA-N
CanonicalSyTyLFy 635cb71390385c9
TotalMolweight 132.205
Molecular Weight 132.205
MonoisotopicMass 132.0939
CLogP 3.0397
CLogS -2.733
TotalSurfaceArea 110.78
Drug-likeness 0.034012
Mutagenic none
Tumorigenic none
Reproductive Effective high
Irritant none
Shape Index 0.7
Molecula Flexibility 0.41784
Molecular Complexity 0.63561
Fragments 1
Non HAtoms 10
StereoCenters 2
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 2
StereoCon unknown chirality

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