dibismuth;carbonate;nitrate

CBi2NO6+3 — CID 160867424

IUPACdibismuth;carbonate;nitrate
SMILESO=C([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Bi+3]
InChIInChI=1S/CH2O3.2Bi.NO3/c2-1(3)4;;;2-1(3)4/h(H2,2,3,4);;;/q;2*+3;-1/p-2
InChIKeySLHNPVQTGHABJG-UHFFFAOYSA-L
MW539.97 g/mol
LogP-3.45
Rot. Bonds

About dibismuth;carbonate;nitrate

dibismuth;carbonate;nitrate (PubChem CID 160867424) has the molecular formula CBi2NO6+3 and a molecular weight of 539.97 g/mol. Its IUPAC name is dibismuth;carbonate;nitrate.

Molecular Properties

Compound Namedibismuth;carbonate;nitrate
PubChem CID160867424
Molecular FormulaCBi2NO6+3
Molecular Weight539.97 g/mol
Exact Mass539.93
IUPAC Namedibismuth;carbonate;nitrate
SMILESO=C([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Bi+3]
InChIInChI=1S/CH2O3.2Bi.NO3/c2-1(3)4;;;2-1(3)4/h(H2,2,3,4);;;/q;2*+3;-1/p-2
InChIKeySLHNPVQTGHABJG-UHFFFAOYSA-L
XLogP-3.45
TPSA129.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.97
LogP ≤ 5-3.45
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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Frequently Asked Questions

What is the IUPAC name of dibismuth;carbonate;nitrate?
The IUPAC name of dibismuth;carbonate;nitrate (CID 160867424) is dibismuth;carbonate;nitrate.
What is the SMILES notation for dibismuth;carbonate;nitrate?
The canonical SMILES for dibismuth;carbonate;nitrate is O=C([O-])[O-].O=[N+]([O-])[O-].[Bi+3].[Bi+3].
What is the InChIKey of dibismuth;carbonate;nitrate?
The InChIKey is SLHNPVQTGHABJG-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.2Bi.NO3/c2-1(3)4;;;2-1(3)4/h(H2,2,3,4);;;/q;2*+3;-1/p-2.
What are the key properties of dibismuth;carbonate;nitrate?
dibismuth;carbonate;nitrate has a molecular weight of 539.97 g/mol, XLogP of -3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibismuth;carbonate;nitrate is sourced from PubChem (CID 160867424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).