barium(2+);dinitrate;hydrate

H2BaN2O7 — CID 140616547

IUPACbarium(2+);dinitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ba+2]
InChIInChI=1S/Ba.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;
InChIKeyOMUMHHURKXLMEO-UHFFFAOYSA-N
MW279.35 g/mol
LogP-1.68
Rot. Bonds

About barium(2+);dinitrate;hydrate

barium(2+);dinitrate;hydrate (PubChem CID 140616547) has the molecular formula H2BaN2O7 and a molecular weight of 279.35 g/mol. Its IUPAC name is barium(2+);dinitrate;hydrate.

Molecular Properties

Compound Namebarium(2+);dinitrate;hydrate
PubChem CID140616547
Molecular FormulaH2BaN2O7
Molecular Weight279.35 g/mol
Exact Mass279.89
IUPAC Namebarium(2+);dinitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ba+2]
InChIInChI=1S/Ba.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;
InChIKeyOMUMHHURKXLMEO-UHFFFAOYSA-N
XLogP-1.68
TPSA163.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 5-1.68
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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CID 19806872
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bis(yttrium(3+));hexanitrate;heptahydrate
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holmium;nitrate;trihydrate
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cobalt;nitrate;tetrahydrate
CID 173115320
rhodium(3+);trinitrate;hexahydrate
CID 159957090
cerium(3+);pentanitrate;hydrate
CID 139249254
calcium;nitrate;hexahydrate
CID 22138076
dicalcium;tetranitrate;tetrahydrate
CID 157337195
dibismuth;hexanitrate;pentahydrate
CID 158893805
sodium;nitrate;tetrahydrate
CID 162201136

Frequently Asked Questions

What is the IUPAC name of barium(2+);dinitrate;hydrate?
The IUPAC name of barium(2+);dinitrate;hydrate (CID 140616547) is barium(2+);dinitrate;hydrate.
What is the SMILES notation for barium(2+);dinitrate;hydrate?
The canonical SMILES for barium(2+);dinitrate;hydrate is O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ba+2].
What is the InChIKey of barium(2+);dinitrate;hydrate?
The InChIKey is OMUMHHURKXLMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;.
What are the key properties of barium(2+);dinitrate;hydrate?
barium(2+);dinitrate;hydrate has a molecular weight of 279.35 g/mol, XLogP of -1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);dinitrate;hydrate is sourced from PubChem (CID 140616547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).