Potassium phosphate (KH5(PO4)2)

CAS Number: 14887-42-4
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[O-]P(O)(O)=O.OP(O)(O)=O.[K+]
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: high
Formula
K.H3O4P.H2O4P
Molecular Weight
97.9938
Drug-likeness
-8.3432
CAS
14887-42-4
InChI key
SDRZXZKXVBHREH-UHFFFAOYSA-M
SMILES
[O-]P(O)(O)=O.OP(O)(O)=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 14887-42-4
Molecule Name Potassium phosphate (KH5(PO4)2)
Molecular Formula K.H3O4P.H2O4P
SMILES [O-]P(O)(O)=O.OP(O)(O)=O.[K+]
InChI InChI=1S/K.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+1;;/p-1
InChI Key SDRZXZKXVBHREH-UHFFFAOYSA-M
CanonicalSyTyLFy d9645b270af7ad2d
TotalMolweight 234.078
Molecular Weight 97.9938
MonoisotopicMass 97.976897
CLogP -5.0393
CLogS 1.958
H Acceptors 4
H Donors 3
TotalSurfaceArea 56.32
Relative PSA 1
PolarSurfaceArea 87.57
Drug-likeness -8.3432
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.6
Molecular Complexity 0.54931
Fragments 3
Non HAtoms 5
NonCHAtoms 5
Electronegative Atoms 5
Sp3Atoms 4
Symmetricatoms 2
AcidicOxygens 3

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