dipotassium;barium(2+);carbonate;dinitrate

CBaK2N2O9 — CID 174817576

IUPACdipotassium;barium(2+);carbonate;dinitrate
SMILESO=C([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ba+2].[K+].[K+]
InChIInChI=1S/CH2O3.Ba.2K.2NO3/c2-1(3)4;;;;2*2-1(3)4/h(H2,2,3,4);;;;;/q;+2;2*+1;2*-1/p-2
InChIKeyBKGONPAPTBPBAJ-UHFFFAOYSA-L
MW399.54 g/mol
LogP-9.30
Rot. Bonds

About dipotassium;barium(2+);carbonate;dinitrate

dipotassium;barium(2+);carbonate;dinitrate (PubChem CID 174817576) has the molecular formula CBaK2N2O9 and a molecular weight of 399.54 g/mol. Its IUPAC name is dipotassium;barium(2+);carbonate;dinitrate.

Molecular Properties

Compound Namedipotassium;barium(2+);carbonate;dinitrate
PubChem CID174817576
Molecular FormulaCBaK2N2O9
Molecular Weight399.54 g/mol
Exact Mass399.79
IUPAC Namedipotassium;barium(2+);carbonate;dinitrate
SMILESO=C([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ba+2].[K+].[K+]
InChIInChI=1S/CH2O3.Ba.2K.2NO3/c2-1(3)4;;;;2*2-1(3)4/h(H2,2,3,4);;;;;/q;+2;2*+1;2*-1/p-2
InChIKeyBKGONPAPTBPBAJ-UHFFFAOYSA-L
XLogP-9.30
TPSA195.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 5-9.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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oxalate nitrate
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calcium;sodium;carbonate;nitrate
CID 158157140
azanium;potassium;hydrogen carbonate;nitrate
CID 161270012
potassium;sodium;acetate;nitrate;trihydrate
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CID 22023657
aluminum;hydrogen carbonate;bromide;nitrate
CID 174144944
calcium;acetate;nitrate
CID 175242971
barium(2+);carbonate;chloride
CID 21197201

Frequently Asked Questions

What is the IUPAC name of dipotassium;barium(2+);carbonate;dinitrate?
The IUPAC name of dipotassium;barium(2+);carbonate;dinitrate (CID 174817576) is dipotassium;barium(2+);carbonate;dinitrate.
What is the SMILES notation for dipotassium;barium(2+);carbonate;dinitrate?
The canonical SMILES for dipotassium;barium(2+);carbonate;dinitrate is O=C([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ba+2].[K+].[K+].
What is the InChIKey of dipotassium;barium(2+);carbonate;dinitrate?
The InChIKey is BKGONPAPTBPBAJ-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Ba.2K.2NO3/c2-1(3)4;;;;2*2-1(3)4/h(H2,2,3,4);;;;;/q;+2;2*+1;2*-1/p-2.
What are the key properties of dipotassium;barium(2+);carbonate;dinitrate?
dipotassium;barium(2+);carbonate;dinitrate has a molecular weight of 399.54 g/mol, XLogP of -9.30, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;barium(2+);carbonate;dinitrate is sourced from PubChem (CID 174817576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).