dicalcium;carbonate;dinitrate

CCa2N2O9 — CID 19782802

IUPACdicalcium;carbonate;dinitrate
SMILESO=C([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2].[Ca+2]
InChIInChI=1S/CH2O3.2Ca.2NO3/c2-1(3)4;;;2*2-1(3)4/h(H2,2,3,4);;;;/q;2*+2;2*-1/p-2
InChIKeyNYEFNVKJJLYDIK-UHFFFAOYSA-L
MW264.17 g/mol
LogP-3.69
Rot. Bonds

About dicalcium;carbonate;dinitrate

dicalcium;carbonate;dinitrate (PubChem CID 19782802) has the molecular formula CCa2N2O9 and a molecular weight of 264.17 g/mol. Its IUPAC name is dicalcium;carbonate;dinitrate.

Molecular Properties

Compound Namedicalcium;carbonate;dinitrate
PubChem CID19782802
Molecular FormulaCCa2N2O9
Molecular Weight264.17 g/mol
Exact Mass263.89
IUPAC Namedicalcium;carbonate;dinitrate
SMILESO=C([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2].[Ca+2]
InChIInChI=1S/CH2O3.2Ca.2NO3/c2-1(3)4;;;2*2-1(3)4/h(H2,2,3,4);;;;/q;2*+2;2*-1/p-2
InChIKeyNYEFNVKJJLYDIK-UHFFFAOYSA-L
XLogP-3.69
TPSA195.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 5-3.69
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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Frequently Asked Questions

What is the IUPAC name of dicalcium;carbonate;dinitrate?
The IUPAC name of dicalcium;carbonate;dinitrate (CID 19782802) is dicalcium;carbonate;dinitrate.
What is the SMILES notation for dicalcium;carbonate;dinitrate?
The canonical SMILES for dicalcium;carbonate;dinitrate is O=C([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2].[Ca+2].
What is the InChIKey of dicalcium;carbonate;dinitrate?
The InChIKey is NYEFNVKJJLYDIK-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.2Ca.2NO3/c2-1(3)4;;;2*2-1(3)4/h(H2,2,3,4);;;;/q;2*+2;2*-1/p-2.
What are the key properties of dicalcium;carbonate;dinitrate?
dicalcium;carbonate;dinitrate has a molecular weight of 264.17 g/mol, XLogP of -3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;carbonate;dinitrate is sourced from PubChem (CID 19782802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).