gallium;trinitrate;hydrate

H2GaN3O10 — CID 11550823

IUPACgallium;trinitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ga+3]
InChIInChI=1S/Ga.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;
InChIKeyYVFORYDECCQDAW-UHFFFAOYSA-N
MW273.75 g/mol
LogP-1.92
Rot. Bonds

About gallium;trinitrate;hydrate

gallium;trinitrate;hydrate (PubChem CID 11550823) has the molecular formula H2GaN3O10 and a molecular weight of 273.75 g/mol. Its IUPAC name is gallium;trinitrate;hydrate.

Molecular Properties

Compound Namegallium;trinitrate;hydrate
PubChem CID11550823
Molecular FormulaH2GaN3O10
Molecular Weight273.75 g/mol
Exact Mass272.90
IUPAC Namegallium;trinitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ga+3]
InChIInChI=1S/Ga.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;
InChIKeyYVFORYDECCQDAW-UHFFFAOYSA-N
XLogP-1.92
TPSA230.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 159957090
dibismuth;hexanitrate;pentahydrate
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cerium(3+);pentanitrate;hydrate
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sodium;nitrate;tetrahydrate
CID 162201136
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Frequently Asked Questions

What is the IUPAC name of gallium;trinitrate;hydrate?
The IUPAC name of gallium;trinitrate;hydrate (CID 11550823) is gallium;trinitrate;hydrate.
What is the SMILES notation for gallium;trinitrate;hydrate?
The canonical SMILES for gallium;trinitrate;hydrate is O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ga+3].
What is the InChIKey of gallium;trinitrate;hydrate?
The InChIKey is YVFORYDECCQDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/Ga.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;.
What are the key properties of gallium;trinitrate;hydrate?
gallium;trinitrate;hydrate has a molecular weight of 273.75 g/mol, XLogP of -1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for gallium;trinitrate;hydrate is sourced from PubChem (CID 11550823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).