2-oxopropanoic acid;titanium;zirconium

C3H4O3TiZr — CID 174908427

IUPAC2-oxopropanoic acid;titanium;zirconium
SMILESCC(=O)C(=O)O.[Ti].[Zr]
InChIInChI=1S/C3H4O3.Ti.Zr/c1-2(4)3(5)6;;/h1H3,(H,5,6);;
InChIKeyWOOLPXLQWXQNOQ-UHFFFAOYSA-N
MW227.15 g/mol
LogP-0.34
Rot. Bonds1

About 2-oxopropanoic acid;titanium;zirconium

2-oxopropanoic acid;titanium;zirconium (PubChem CID 174908427) has the molecular formula C3H4O3TiZr and a molecular weight of 227.15 g/mol. Its IUPAC name is 2-oxopropanoic acid;titanium;zirconium.

Molecular Properties

Compound Name2-oxopropanoic acid;titanium;zirconium
PubChem CID174908427
Molecular FormulaC3H4O3TiZr
Molecular Weight227.15 g/mol
Exact Mass225.87
IUPAC Name2-oxopropanoic acid;titanium;zirconium
SMILESCC(=O)C(=O)O.[Ti].[Zr]
InChIInChI=1S/C3H4O3.Ti.Zr/c1-2(4)3(5)6;;/h1H3,(H,5,6);;
InChIKeyWOOLPXLQWXQNOQ-UHFFFAOYSA-N
XLogP-0.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.15
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-oxopropanoic acid;titanium;zirconium?
The IUPAC name of 2-oxopropanoic acid;titanium;zirconium (CID 174908427) is 2-oxopropanoic acid;titanium;zirconium.
What is the SMILES notation for 2-oxopropanoic acid;titanium;zirconium?
The canonical SMILES for 2-oxopropanoic acid;titanium;zirconium is CC(=O)C(=O)O.[Ti].[Zr].
What is the InChIKey of 2-oxopropanoic acid;titanium;zirconium?
The InChIKey is WOOLPXLQWXQNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.Ti.Zr/c1-2(4)3(5)6;;/h1H3,(H,5,6);;.
What are the key properties of 2-oxopropanoic acid;titanium;zirconium?
2-oxopropanoic acid;titanium;zirconium has a molecular weight of 227.15 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropanoic acid;titanium;zirconium is sourced from PubChem (CID 174908427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).