(1R,2S)-1,2-Diethenylcyclopropane

CAS Number: 2984-58-9
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C=C[C@H](C1)[C@H]1C=C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H10
Molecular Weight
94.1564
Drug-likeness
-3.3712
CAS
2984-58-9
InChI key
UEYYOGFVPAORCH-BQBZGAKWSA-N
SMILES
C=C[C@H](C1)[C@H]1C=C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 2984-58-9
Molecule Name (1R,2S)-1,2-Diethenylcyclopropane
Molecular Formula C7H10
SMILES C=C[C@H](C1)[C@H]1C=C
InChI InChI=1S/C7H10/c1-3-6-5-7(6)4-2/h3-4,6-7H,1-2,5H2/t6-,7-/m0/s1
InChI Key UEYYOGFVPAORCH-BQBZGAKWSA-N
CanonicalSyTyLFy 7ac78e2ec24872b6
TotalMolweight 94.1564
Molecular Weight 94.1564
MonoisotopicMass 94.07825
CLogP 2.1024
CLogS -2.078
TotalSurfaceArea 87.84
Drug-likeness -3.3712
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.85714
Molecula Flexibility 0.057644
Molecular Complexity 0.73241
Fragments 1
Non HAtoms 7
StereoCenters 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 3
StereoCon meso

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