Monopotassium succinate

CAS Number: 34717-22-1
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[O-]C(CCC(O)=O)=O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C4H5O4
Molecular Weight
117.08
Drug-likeness
-2.3379
CAS
34717-22-1
InChI key
PWARIDJUMWYDTK-UHFFFAOYSA-M
SMILES
[O-]C(CCC(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 34717-22-1
Molecule Name Monopotassium succinate
Molecular Formula K.C4H5O4
SMILES [O-]C(CCC(O)=O)=O.[K+]
InChI InChI=1S/C4H6O4.K/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+1/p-1
InChI Key PWARIDJUMWYDTK-UHFFFAOYSA-M
CanonicalSyTyLFy 2d48d880c3c3bf3d
TotalMolweight 156.178
Molecular Weight 117.08
MonoisotopicMass 117.018785
CLogP -2.7426
CLogS -0.474
H Acceptors 4
H Donors 1
TotalSurfaceArea 90.4
Relative PSA 0.59137
PolarSurfaceArea 77.43
Drug-likeness -2.3379
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.78094
Molecular Complexity 0.64864
Fragments 2
Non HAtoms 8
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 3
Sp3Atoms 4
AcidicOxygens 2

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