distrontium;dioxido(oxo)titanium;oxalate

C2O7Sr2Ti — CID 173395085

IUPACdistrontium;dioxido(oxo)titanium;oxalate
SMILESO=C([O-])C(=O)[O-].O=[Ti]([O-])[O-].[Sr+2].[Sr+2]
InChIInChI=1S/C2H2O4.3O.2Sr.Ti/c3-1(4)2(5)6;;;;;;/h(H,3,4)(H,5,6);;;;;;/q;;2*-1;2*+2;/p-2
InChIKeyFRHNWHDEERIVOY-UHFFFAOYSA-L
MW359.12 g/mol
LogP-6.77
Rot. Bonds

About distrontium;dioxido(oxo)titanium;oxalate

distrontium;dioxido(oxo)titanium;oxalate (PubChem CID 173395085) has the molecular formula C2O7Sr2Ti and a molecular weight of 359.12 g/mol. Its IUPAC name is distrontium;dioxido(oxo)titanium;oxalate.

Molecular Properties

Compound Namedistrontium;dioxido(oxo)titanium;oxalate
PubChem CID173395085
Molecular FormulaC2O7Sr2Ti
Molecular Weight359.12 g/mol
Exact Mass359.72
IUPAC Namedistrontium;dioxido(oxo)titanium;oxalate
SMILESO=C([O-])C(=O)[O-].O=[Ti]([O-])[O-].[Sr+2].[Sr+2]
InChIInChI=1S/C2H2O4.3O.2Sr.Ti/c3-1(4)2(5)6;;;;;;/h(H,3,4)(H,5,6);;;;;;/q;;2*-1;2*+2;/p-2
InChIKeyFRHNWHDEERIVOY-UHFFFAOYSA-L
XLogP-6.77
TPSA143.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.12
LogP ≤ 5-6.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of distrontium;dioxido(oxo)titanium;oxalate?
The IUPAC name of distrontium;dioxido(oxo)titanium;oxalate (CID 173395085) is distrontium;dioxido(oxo)titanium;oxalate.
What is the SMILES notation for distrontium;dioxido(oxo)titanium;oxalate?
The canonical SMILES for distrontium;dioxido(oxo)titanium;oxalate is O=C([O-])C(=O)[O-].O=[Ti]([O-])[O-].[Sr+2].[Sr+2].
What is the InChIKey of distrontium;dioxido(oxo)titanium;oxalate?
The InChIKey is FRHNWHDEERIVOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.3O.2Sr.Ti/c3-1(4)2(5)6;;;;;;/h(H,3,4)(H,5,6);;;;;;/q;;2*-1;2*+2;/p-2.
What are the key properties of distrontium;dioxido(oxo)titanium;oxalate?
distrontium;dioxido(oxo)titanium;oxalate has a molecular weight of 359.12 g/mol, XLogP of -6.77, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for distrontium;dioxido(oxo)titanium;oxalate is sourced from PubChem (CID 173395085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).