calcium;oxocopper;dinitrate

CaCuN2O7 — CID 174972937

IUPACcalcium;oxocopper;dinitrate
SMILESO=[Cu].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.Cu.2NO3.O/c;;2*2-1(3)4;/q+2;;2*-1;
InChIKeyZSEXOLPXSVOBJW-UHFFFAOYSA-N
MW243.63 g/mol
LogP-0.98
Rot. Bonds

About calcium;oxocopper;dinitrate

calcium;oxocopper;dinitrate (PubChem CID 174972937) has the molecular formula CaCuN2O7 and a molecular weight of 243.63 g/mol. Its IUPAC name is calcium;oxocopper;dinitrate.

Molecular Properties

Compound Namecalcium;oxocopper;dinitrate
PubChem CID174972937
Molecular FormulaCaCuN2O7
Molecular Weight243.63 g/mol
Exact Mass242.86
IUPAC Namecalcium;oxocopper;dinitrate
SMILESO=[Cu].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2]
InChIInChI=1S/Ca.Cu.2NO3.O/c;;2*2-1(3)4;/q+2;;2*-1;
InChIKeyZSEXOLPXSVOBJW-UHFFFAOYSA-N
XLogP-0.98
TPSA149.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.63
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

copper;oxocopper;dinitrate
CID 158560469
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CID 22138076
dicalcium;tetranitrate;tetrahydrate
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bismuth;calcium;pentanitrate
CID 160831581
calcium;potassium;dinitrate;hydrate
CID 172855614
aluminum;calcium;chloride;nitrate
CID 20633899
palladium(2+) nitrate
CID 15793330
technetium(7+) heptanitrate
CID 23031034
niobium(3+) trinitrate
CID 14693735
ruthenium(3+) nitrate
CID 21124620
tetrakis(lanthanum(3+));trinitrate
CID 19804472
platinum pentanitrate
CID 173027999

Frequently Asked Questions

What is the IUPAC name of calcium;oxocopper;dinitrate?
The IUPAC name of calcium;oxocopper;dinitrate (CID 174972937) is calcium;oxocopper;dinitrate.
What is the SMILES notation for calcium;oxocopper;dinitrate?
The canonical SMILES for calcium;oxocopper;dinitrate is O=[Cu].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2].
What is the InChIKey of calcium;oxocopper;dinitrate?
The InChIKey is ZSEXOLPXSVOBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Cu.2NO3.O/c;;2*2-1(3)4;/q+2;;2*-1;.
What are the key properties of calcium;oxocopper;dinitrate?
calcium;oxocopper;dinitrate has a molecular weight of 243.63 g/mol, XLogP of -0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;oxocopper;dinitrate is sourced from PubChem (CID 174972937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).