RHODIZONIC ACID, BARIUM SALT

C6H4BaO6 — CID 126959842

IUPAC—
SMILESO=C1C(=O)C(=O)C(O)C(O)C1=O.[Ba]
InChIInChI=1S/C6H4O6.Ba/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h1-2,7-8H;
InChIKeyOPNMPTJRYYSKAJ-UHFFFAOYSA-N
MW309.42 g/mol
LogP-3.38
Rot. Bonds

About RHODIZONIC ACID, BARIUM SALT

RHODIZONIC ACID, BARIUM SALT (PubChem CID 126959842) has the molecular formula C6H4BaO6 and a molecular weight of 309.42 g/mol.

Molecular Properties

Compound NameRHODIZONIC ACID, BARIUM SALT
PubChem CID126959842
Molecular FormulaC6H4BaO6
Molecular Weight309.42 g/mol
Exact Mass309.91
IUPAC Name—
SMILESO=C1C(=O)C(=O)C(O)C(O)C1=O.[Ba]
InChIInChI=1S/C6H4O6.Ba/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h1-2,7-8H;
InChIKeyOPNMPTJRYYSKAJ-UHFFFAOYSA-N
XLogP-3.38
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 5-3.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of RHODIZONIC ACID, BARIUM SALT?
The IUPAC name of RHODIZONIC ACID, BARIUM SALT (CID 126959842) is not available.
What is the SMILES notation for RHODIZONIC ACID, BARIUM SALT?
The canonical SMILES for RHODIZONIC ACID, BARIUM SALT is O=C1C(=O)C(=O)C(O)C(O)C1=O.[Ba].
What is the InChIKey of RHODIZONIC ACID, BARIUM SALT?
The InChIKey is OPNMPTJRYYSKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O6.Ba/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h1-2,7-8H;.
What are the key properties of RHODIZONIC ACID, BARIUM SALT?
RHODIZONIC ACID, BARIUM SALT has a molecular weight of 309.42 g/mol, XLogP of -3.38, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for RHODIZONIC ACID, BARIUM SALT is sourced from PubChem (CID 126959842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).