Potassium 2,3-dihydroxypropanoate

CAS Number: 43110-90-3
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[O-]C(C(CO)O)=O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C3H5O4
Molecular Weight
105.069
Drug-likeness
0.045431
CAS
43110-90-3
InChI key
SYGDCNJESIQXKS-DKWTVANSSA-M
SMILES
[O-]C(C(CO)O)=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 43110-90-3
Molecule Name Potassium 2,3-dihydroxypropanoate
Molecular Formula K.C3H5O4
SMILES [O-]C(C(CO)O)=O.[K+]
InChI InChI=1S/C3H6O4.K/c4-1-2(5)3(6)7;/h2,4-5H,1H2,(H,6,7);/q;+1/p-1/t2-;/m0./s1
InChI Key SYGDCNJESIQXKS-DKWTVANSSA-M
CanonicalSyTyLFy 2982839dadae4baa
TotalMolweight 144.167
Molecular Weight 105.069
MonoisotopicMass 105.018785
CLogP -3.8692
CLogS 0.177
H Acceptors 4
H Donors 2
TotalSurfaceArea 77.74
Relative PSA 0.68845
PolarSurfaceArea 80.59
Drug-likeness 0.045431
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.69208
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 7
NonCHAtoms 4
Electronegative Atoms 4
StereoCenters 1
Rotatable Bond 2
Sp3Atoms 5
AcidicOxygens 1
StereoCon racemate

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