(1R,2R)-1,2-Diethoxycyclopropane

CAS Number: 62153-64-4
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CCO[C@H](C1)[C@@H]1OCC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H14O2
Molecular Weight
130.186
Drug-likeness
-6.0919
CAS
62153-64-4
InChI key
ZEMUYDZBOJRAPE-KNVOCYPGSA-N
SMILES
CCO[C@H](C1)[C@@H]1OCC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62153-64-4
Molecule Name (1R,2R)-1,2-Diethoxycyclopropane
Molecular Formula C7H14O2
SMILES CCO[C@H](C1)[C@@H]1OCC
InChI InChI=1S/C7H14O2/c1-3-8-6-5-7(6)9-4-2/h6-7H,3-5H2,1-2H3/t6-,7+
InChI Key ZEMUYDZBOJRAPE-KNVOCYPGSA-N
CanonicalSyTyLFy 495ae7d18d8bbff3
TotalMolweight 130.186
Molecular Weight 130.186
MonoisotopicMass 130.09938
CLogP 0.9902
CLogS -1.398
H Acceptors 2
TotalSurfaceArea 110.8
Relative PSA 0.18051
PolarSurfaceArea 18.46
Drug-likeness -6.0919
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.88889
Molecula Flexibility 0.64227
Molecular Complexity 0.62123
Fragments 1
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 2
Rotatable Bond 4
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Symmetricatoms 4
StereoCon this enantiomer

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