(2R)-1-Azido-3-methoxypropan-2-ol

CAS Number: 922522-04-1
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COC[C@@H](CN=[N+]=[N-])O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C4H9N3O2
Molecular Weight
131.134
Drug-likeness
0.75201
CAS
922522-04-1
InChI key
VZVMAEBIUHGEOM-SCSAIBSYSA-N
SMILES
COC[C@@H](CN=[N+]=[N-])O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 922522-04-1
Molecule Name (2R)-1-Azido-3-methoxypropan-2-ol
Molecular Formula C4H9N3O2
SMILES COC[C@@H](CN=[N+]=[N-])O
InChI InChI=1S/C4H9N3O2/c1-9-3-4(8)2-6-7-5/h4,8H,2-3H2,1H3/t4-/m1/s1
InChI Key VZVMAEBIUHGEOM-SCSAIBSYSA-N
CanonicalSyTyLFy 61785d1168f1b698
TotalMolweight 131.134
Molecular Weight 131.134
MonoisotopicMass 131.069477
CLogP -0.7842
CLogS -0.3
H Acceptors 5
H Donors 1
TotalSurfaceArea 112.77
Relative PSA 0.5364
PolarSurfaceArea 55.42
Drug-likeness 0.75201
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.88889
Molecula Flexibility 0.70365
Molecular Complexity 0.51986
Fragments 1
Non HAtoms 9
NonCHAtoms 5
Electronegative Atoms 5
StereoCenters 1
Rotatable Bond 4
Sp3Atoms 6
StereoCon this enantiomer

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