(4S)-1,2-Oxazolidin-4-ol--hydrogen chloride (1/1)

CAS Number: 1272756-01-0
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SMILES not available in database
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C3H7NO2
Molecular Weight
89.0936
Drug-likeness
2.0907
CAS
1272756-01-0
InChI key
LLCWGQYEQKYRDO-AENDTGMFSA-N
SMILES
Not available
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1272756-01-0
Molecule Name (4S)-1,2-Oxazolidin-4-ol--hydrogen chloride (1/1)
Molecular Formula HCl.C3H7NO2
InChI InChI=1S/C3H7NO2.ClH/c5-3-1-4-6-2-3;/h3-5H,1-2H2;1H/t3-;/m1./s1
InChI Key LLCWGQYEQKYRDO-AENDTGMFSA-N
CanonicalSyTyLFy 2aafd2fea88ca0ca
TotalMolweight 125.555
Molecular Weight 89.0936
MonoisotopicMass 89.047679
CLogP -1.1194
CLogS -0.473
H Acceptors 3
H Donors 2
TotalSurfaceArea 67.83
Relative PSA 0.50951
PolarSurfaceArea 41.49
Drug-likeness 2.0907
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 6
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rings Closures 1
Small Rings 1
Sp3Atoms 6
StereoCon this enantiomer

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