Potassium DL-lactate

CAS Number: 996-31-6
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CC(C([O-])=O)O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C3H5O3
Molecular Weight
89.0697
Drug-likeness
-1.9627
CAS
996-31-6
InChI key
PHZLMBHDXVLRIX-DKWTVANSSA-M
SMILES
CC(C([O-])=O)O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 996-31-6
Molecule Name Potassium DL-lactate
Molecular Formula K.C3H5O3
SMILES CC(C([O-])=O)O.[K+]
InChI InChI=1S/C3H6O3.K/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1
InChI Key PHZLMBHDXVLRIX-DKWTVANSSA-M
CanonicalSyTyLFy 8f32b2ddfdf26a6
TotalMolweight 128.168
Molecular Weight 89.0697
MonoisotopicMass 89.02387
CLogP -2.9425
CLogS -0.33
H Acceptors 3
H Donors 1
TotalSurfaceArea 69.89
Relative PSA 0.57834
PolarSurfaceArea 60.36
Drug-likeness -1.9627
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.54672
Molecular Complexity 0.89588
Fragments 2
Non HAtoms 6
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rotatable Bond 1
Sp3Atoms 4
AcidicOxygens 1
StereoCon racemate

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