Dipotassium methyl phosphate

CAS Number: 90605-10-0
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COP([O-])([O-])=O.[K+].[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.K.CH3O4P
Molecular Weight
110.005
Drug-likeness
-18.031
CAS
90605-10-0
InChI key
YIOCCOWHPFYHIL-UHFFFAOYSA-L
SMILES
COP([O-])([O-])=O.[K+].[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 90605-10-0
Molecule Name Dipotassium methyl phosphate
Molecular Formula K.K.CH3O4P
SMILES COP([O-])([O-])=O.[K+].[K+]
InChI InChI=1S/CH5O4P.2K/c1-5-6(2,3)4;;/h1H3,(H2,2,3,4);;/q;2*+1/p-2
InChI Key YIOCCOWHPFYHIL-UHFFFAOYSA-L
CanonicalSyTyLFy 864dda241199c14c
TotalMolweight 188.201
Molecular Weight 110.005
MonoisotopicMass 109.976897
CLogP -6.0948
CLogS 1.403
H Acceptors 4
TotalSurfaceArea 74.59
Relative PSA 0.74514
PolarSurfaceArea 82.23
Drug-likeness -18.031
Mutagenic none
Tumorigenic none
Reproductive Effective high
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.68141
Molecular Complexity 0.80472
Fragments 3
Non HAtoms 6
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 1
Sp3Atoms 5
Symmetricatoms 1
AcidicOxygens 2

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