potassium;sodium;acetate;nitrate;trihydrate

C2H9KNNaO8 — CID 171618284

IUPACpotassium;sodium;acetate;nitrate;trihydrate
SMILESCC(=O)[O-].O.O.O.O=[N+]([O-])[O-].[K+].[Na+]
InChIInChI=1S/C2H4O2.K.NO3.Na.3H2O/c1-2(3)4;;2-1(3)4;;;;/h1H3,(H,3,4);;;;3*1H2/q;+1;-1;+1;;;/p-1
InChIKeyCOGJIWUQZBQEIH-UHFFFAOYSA-M
MW237.18 g/mol
LogP-9.95
Rot. Bonds

About potassium;sodium;acetate;nitrate;trihydrate

potassium;sodium;acetate;nitrate;trihydrate (PubChem CID 171618284) has the molecular formula C2H9KNNaO8 and a molecular weight of 237.18 g/mol. Its IUPAC name is potassium;sodium;acetate;nitrate;trihydrate.

Molecular Properties

Compound Namepotassium;sodium;acetate;nitrate;trihydrate
PubChem CID171618284
Molecular FormulaC2H9KNNaO8
Molecular Weight237.18 g/mol
Exact Mass236.99
IUPAC Namepotassium;sodium;acetate;nitrate;trihydrate
SMILESCC(=O)[O-].O.O.O.O=[N+]([O-])[O-].[K+].[Na+]
InChIInChI=1S/C2H4O2.K.NO3.Na.3H2O/c1-2(3)4;;2-1(3)4;;;;/h1H3,(H,3,4);;;;3*1H2/q;+1;-1;+1;;;/p-1
InChIKeyCOGJIWUQZBQEIH-UHFFFAOYSA-M
XLogP-9.95
TPSA200.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-9.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azanium;sodium;acetate;nitrate
CID 141287882
calcium;acetate;nitrate
CID 175242971
bis(cerium(3+));acetate;nitrate
CID 22023657
sodium;acetate;trihydrate
CID 23665404
potassium;sodium;diacetate
CID 21470705
tetrasodium;tetraacetate;hydrate
CID 141360802
hydrazine;silver;acetate;nitrate
CID 175333281
disodium;acetate;chloride;trihydrate
CID 160847584
sodium;azane;acetate;hydrate
CID 173286300
oxalate nitrate
CID 22623470
nonasodium;nonaacetate
CID 173443222
nitric acid;bis(ruthenium(3+));hexaacetate
CID 172717903

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;acetate;nitrate;trihydrate?
The IUPAC name of potassium;sodium;acetate;nitrate;trihydrate (CID 171618284) is potassium;sodium;acetate;nitrate;trihydrate.
What is the SMILES notation for potassium;sodium;acetate;nitrate;trihydrate?
The canonical SMILES for potassium;sodium;acetate;nitrate;trihydrate is CC(=O)[O-].O.O.O.O=[N+]([O-])[O-].[K+].[Na+].
What is the InChIKey of potassium;sodium;acetate;nitrate;trihydrate?
The InChIKey is COGJIWUQZBQEIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.K.NO3.Na.3H2O/c1-2(3)4;;2-1(3)4;;;;/h1H3,(H,3,4);;;;3*1H2/q;+1;-1;+1;;;/p-1.
What are the key properties of potassium;sodium;acetate;nitrate;trihydrate?
potassium;sodium;acetate;nitrate;trihydrate has a molecular weight of 237.18 g/mol, XLogP of -9.95, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;acetate;nitrate;trihydrate is sourced from PubChem (CID 171618284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).