(2-Methylprop-1-en-1-yl)cyclopropane

CAS Number: 1003-33-4
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CC(C)=CC1CC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H12
Molecular Weight
96.1723
Drug-likeness
-0.8034
CAS
1003-33-4
InChI key
KBBOLTBWRZESTH-UHFFFAOYSA-N
SMILES
CC(C)=CC1CC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1003-33-4
Molecule Name (2-Methylprop-1-en-1-yl)cyclopropane
Molecular Formula C7H12
SMILES CC(C)=CC1CC1
InChI InChI=1S/C7H12/c1-6(2)5-7-3-4-7/h5,7H,3-4H2,1-2H3
InChI Key KBBOLTBWRZESTH-UHFFFAOYSA-N
CanonicalSyTyLFy 2353767b44a07f7c
TotalMolweight 96.1723
Molecular Weight 96.1723
MonoisotopicMass 96.0939
CLogP 2.5583
CLogS -1.936
TotalSurfaceArea 89.25
Drug-likeness -0.8034
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.42902
Molecular Complexity 0.64864
Fragments 1
Non HAtoms 7
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 5
Symmetricatoms 2

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