calcium;sodium;carbonate;nitrate

CCaNNaO6 — CID 158157140

IUPACcalcium;sodium;carbonate;nitrate
SMILESO=C([O-])[O-].O=[N+]([O-])[O-].[Ca+2].[Na+]
InChIInChI=1S/CH2O3.Ca.NO3.Na/c2-1(3)4;;2-1(3)4;/h(H2,2,3,4);;;/q;+2;-1;+1/p-2
InChIKeyFVVDXMUNWNHDFA-UHFFFAOYSA-L
MW185.08 g/mol
LogP-6.06
Rot. Bonds

About calcium;sodium;carbonate;nitrate

calcium;sodium;carbonate;nitrate (PubChem CID 158157140) has the molecular formula CCaNNaO6 and a molecular weight of 185.08 g/mol. Its IUPAC name is calcium;sodium;carbonate;nitrate.

Molecular Properties

Compound Namecalcium;sodium;carbonate;nitrate
PubChem CID158157140
Molecular FormulaCCaNNaO6
Molecular Weight185.08 g/mol
Exact Mass184.92
IUPAC Namecalcium;sodium;carbonate;nitrate
SMILESO=C([O-])[O-].O=[N+]([O-])[O-].[Ca+2].[Na+]
InChIInChI=1S/CH2O3.Ca.NO3.Na/c2-1(3)4;;2-1(3)4;/h(H2,2,3,4);;;/q;+2;-1;+1/p-2
InChIKeyFVVDXMUNWNHDFA-UHFFFAOYSA-L
XLogP-6.06
TPSA129.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.08
LogP ≤ 5-6.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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calcium;acetate;nitrate
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Frequently Asked Questions

What is the IUPAC name of calcium;sodium;carbonate;nitrate?
The IUPAC name of calcium;sodium;carbonate;nitrate (CID 158157140) is calcium;sodium;carbonate;nitrate.
What is the SMILES notation for calcium;sodium;carbonate;nitrate?
The canonical SMILES for calcium;sodium;carbonate;nitrate is O=C([O-])[O-].O=[N+]([O-])[O-].[Ca+2].[Na+].
What is the InChIKey of calcium;sodium;carbonate;nitrate?
The InChIKey is FVVDXMUNWNHDFA-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Ca.NO3.Na/c2-1(3)4;;2-1(3)4;/h(H2,2,3,4);;;/q;+2;-1;+1/p-2.
What are the key properties of calcium;sodium;carbonate;nitrate?
calcium;sodium;carbonate;nitrate has a molecular weight of 185.08 g/mol, XLogP of -6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;carbonate;nitrate is sourced from PubChem (CID 158157140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).