Disodium phosphate dihydrate

CAS Number: 10028-24-7
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[O-]P([O-])(O)=O.O.O.[Na+].[Na+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HO4P.Na.Na.H2O.H2O
Molecular Weight
95.9779
Drug-likeness
-14.758
CAS
10028-24-7
InChI key
KDQPSPMLNJTZAL-UHFFFAOYSA-L
SMILES
[O-]P([O-])(O)=O.O.O.[Na+].[Na+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10028-24-7
Molecule Name Disodium phosphate dihydrate
Molecular Formula HO4P.Na.Na.H2O.H2O
SMILES [O-]P([O-])(O)=O.O.O.[Na+].[Na+]
InChI InChI=1S/2Na.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2/q2*+1;;;/p-2
InChI Key KDQPSPMLNJTZAL-UHFFFAOYSA-L
CanonicalSyTyLFy d9645b270af7ad2d
TotalMolweight 177.988
Molecular Weight 95.9779
MonoisotopicMass 95.961247
CLogP -7.5345
CLogS 1.958
H Acceptors 4
H Donors 1
TotalSurfaceArea 58.68
Relative PSA 1
PolarSurfaceArea 93.23
Drug-likeness -14.758
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.69315
Fragments 5
Non HAtoms 5
NonCHAtoms 5
Electronegative Atoms 5
Sp3Atoms 4
Symmetricatoms 1
AcidicOxygens 3

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