tris(nitric acid);scandium;tetrahydrate

H11N3O13Sc — CID 131874908

IUPACtris(nitric acid);scandium;tetrahydrate
SMILESO.O.O.O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Sc]
InChIInChI=1S/3HNO3.4H2O.Sc/c3*2-1(3)4;;;;;/h3*(H,2,3,4);4*1H2;
InChIKeyIKQJQBQTOVQUNO-UHFFFAOYSA-N
MW306.05 g/mol
LogP-4.34
Rot. Bonds

About tris(nitric acid);scandium;tetrahydrate

tris(nitric acid);scandium;tetrahydrate (PubChem CID 131874908) has the molecular formula H11N3O13Sc and a molecular weight of 306.05 g/mol. Its IUPAC name is tris(nitric acid);scandium;tetrahydrate.

Molecular Properties

Compound Nametris(nitric acid);scandium;tetrahydrate
PubChem CID131874908
Molecular FormulaH11N3O13Sc
Molecular Weight306.05 g/mol
Exact Mass305.99
IUPAC Nametris(nitric acid);scandium;tetrahydrate
SMILESO.O.O.O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Sc]
InChIInChI=1S/3HNO3.4H2O.Sc/c3*2-1(3)4;;;;;/h3*(H,2,3,4);4*1H2;
InChIKeyIKQJQBQTOVQUNO-UHFFFAOYSA-N
XLogP-4.34
TPSA316.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.05
LogP ≤ 5-4.34
H-Bond Donors ≤ 53
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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tris(nitric acid);ytterbium;pentahydrate
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bis(nitric acid);uranium;dihydrate
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CID 174552935
bis(nitric acid);palladium(2+);hydrate
CID 169410102
iron;nitric acid;nonahydrate
CID 161165031
nickel;nitric acid;heptahydrate
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nickel;nitric acid;nonahydrate
CID 173200755
gadolinium;tris(nitric acid);pentahydrate
CID 131880314
nitric acid;vanadium;dihydrate
CID 174936942
tris(nitric acid);yttrium;tetrahydrate
CID 131873138

Frequently Asked Questions

What is the IUPAC name of tris(nitric acid);scandium;tetrahydrate?
The IUPAC name of tris(nitric acid);scandium;tetrahydrate (CID 131874908) is tris(nitric acid);scandium;tetrahydrate.
What is the SMILES notation for tris(nitric acid);scandium;tetrahydrate?
The canonical SMILES for tris(nitric acid);scandium;tetrahydrate is O.O.O.O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Sc].
What is the InChIKey of tris(nitric acid);scandium;tetrahydrate?
The InChIKey is IKQJQBQTOVQUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/3HNO3.4H2O.Sc/c3*2-1(3)4;;;;;/h3*(H,2,3,4);4*1H2;.
What are the key properties of tris(nitric acid);scandium;tetrahydrate?
tris(nitric acid);scandium;tetrahydrate has a molecular weight of 306.05 g/mol, XLogP of -4.34, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(nitric acid);scandium;tetrahydrate is sourced from PubChem (CID 131874908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).