bis(2-formylphenolate);palladium(2+)

C14H10O4Pd — CID 165347801

IUPACbis(2-formylphenolate);palladium(2+)
SMILESO=Cc1ccccc1[O-].O=Cc1ccccc1[O-].[Pd+2]
InChIInChI=1S/2C7H6O2.Pd/c2*8-5-6-3-1-2-4-7(6)9;/h2*1-5,9H;/q;;+2/p-2
InChIKeySPYBZCSUDAZSPR-UHFFFAOYSA-L
MW348.65 g/mol
LogP1.14
Rot. Bonds2

About bis(2-formylphenolate);palladium(2+)

bis(2-formylphenolate);palladium(2+) (PubChem CID 165347801) has the molecular formula C14H10O4Pd and a molecular weight of 348.65 g/mol. Its IUPAC name is bis(2-formylphenolate);palladium(2+).

Molecular Properties

Compound Namebis(2-formylphenolate);palladium(2+)
PubChem CID165347801
Molecular FormulaC14H10O4Pd
Molecular Weight348.65 g/mol
Exact Mass347.96
IUPAC Namebis(2-formylphenolate);palladium(2+)
SMILESO=Cc1ccccc1[O-].O=Cc1ccccc1[O-].[Pd+2]
InChIInChI=1S/2C7H6O2.Pd/c2*8-5-6-3-1-2-4-7(6)9;/h2*1-5,9H;/q;;+2/p-2
InChIKeySPYBZCSUDAZSPR-UHFFFAOYSA-L
XLogP1.14
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.65
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-formylphenolate);palladium(2+)?
The IUPAC name of bis(2-formylphenolate);palladium(2+) (CID 165347801) is bis(2-formylphenolate);palladium(2+).
What is the SMILES notation for bis(2-formylphenolate);palladium(2+)?
The canonical SMILES for bis(2-formylphenolate);palladium(2+) is O=Cc1ccccc1[O-].O=Cc1ccccc1[O-].[Pd+2].
What is the InChIKey of bis(2-formylphenolate);palladium(2+)?
The InChIKey is SPYBZCSUDAZSPR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.Pd/c2*8-5-6-3-1-2-4-7(6)9;/h2*1-5,9H;/q;;+2/p-2.
What are the key properties of bis(2-formylphenolate);palladium(2+)?
bis(2-formylphenolate);palladium(2+) has a molecular weight of 348.65 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-formylphenolate);palladium(2+) is sourced from PubChem (CID 165347801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).