bis(cerium(3+));acetate;nitrate

C2H3Ce2NO5+4 — CID 22023657

IUPACbis(cerium(3+));acetate;nitrate
SMILESCC(=O)[O-].O=[N+]([O-])[O-].[Ce+3].[Ce+3]
InChIInChI=1S/C2H4O2.2Ce.NO3/c1-2(3)4;;;2-1(3)4/h1H3,(H,3,4);;;/q;2*+3;-1/p-1
InChIKeyVRYREORLCFUZBN-UHFFFAOYSA-M
MW401.28 g/mol
LogP-1.48
Rot. Bonds

About bis(cerium(3+));acetate;nitrate

bis(cerium(3+));acetate;nitrate (PubChem CID 22023657) has the molecular formula C2H3Ce2NO5+4 and a molecular weight of 401.28 g/mol. Its IUPAC name is bis(cerium(3+));acetate;nitrate.

Molecular Properties

Compound Namebis(cerium(3+));acetate;nitrate
PubChem CID22023657
Molecular FormulaC2H3Ce2NO5+4
Molecular Weight401.28 g/mol
Exact Mass400.81
IUPAC Namebis(cerium(3+));acetate;nitrate
SMILESCC(=O)[O-].O=[N+]([O-])[O-].[Ce+3].[Ce+3]
InChIInChI=1S/C2H4O2.2Ce.NO3/c1-2(3)4;;;2-1(3)4/h1H3,(H,3,4);;;/q;2*+3;-1/p-1
InChIKeyVRYREORLCFUZBN-UHFFFAOYSA-M
XLogP-1.48
TPSA106.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 bis(cerium(3+));acetate;nitrate?
The IUPAC name of bis(cerium(3+));acetate;nitrate (CID 22023657) is bis(cerium(3+));acetate;nitrate.
What is the SMILES notation for bis(cerium(3+));acetate;nitrate?
The canonical SMILES for bis(cerium(3+));acetate;nitrate is CC(=O)[O-].O=[N+]([O-])[O-].[Ce+3].[Ce+3].
What is the InChIKey of bis(cerium(3+));acetate;nitrate?
The InChIKey is VRYREORLCFUZBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.2Ce.NO3/c1-2(3)4;;;2-1(3)4/h1H3,(H,3,4);;;/q;2*+3;-1/p-1.
What are the key properties of bis(cerium(3+));acetate;nitrate?
bis(cerium(3+));acetate;nitrate has a molecular weight of 401.28 g/mol, XLogP of -1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cerium(3+));acetate;nitrate is sourced from PubChem (CID 22023657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).