propanoic acid;zirconium

C9H18O6Zr — CID 88666887

IUPACpropanoic acid;zirconium
SMILESCCC(=O)O.CCC(=O)O.CCC(=O)O.[Zr]
InChIInChI=1S/3C3H6O2.Zr/c3*1-2-3(4)5;/h3*2H2,1H3,(H,4,5);
InChIKeyCNKOXJLTHVEQIQ-UHFFFAOYSA-N
MW313.46 g/mol
LogP1.44
Rot. Bonds3

About propanoic acid;zirconium

propanoic acid;zirconium (PubChem CID 88666887) has the molecular formula C9H18O6Zr and a molecular weight of 313.46 g/mol. Its IUPAC name is propanoic acid;zirconium.

Molecular Properties

Compound Namepropanoic acid;zirconium
PubChem CID88666887
Molecular FormulaC9H18O6Zr
Molecular Weight313.46 g/mol
Exact Mass312.02
IUPAC Namepropanoic acid;zirconium
SMILESCCC(=O)O.CCC(=O)O.CCC(=O)O.[Zr]
InChIInChI=1S/3C3H6O2.Zr/c3*1-2-3(4)5;/h3*2H2,1H3,(H,4,5);
InChIKeyCNKOXJLTHVEQIQ-UHFFFAOYSA-N
XLogP1.44
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;zirconium?
The IUPAC name of propanoic acid;zirconium (CID 88666887) is propanoic acid;zirconium.
What is the SMILES notation for propanoic acid;zirconium?
The canonical SMILES for propanoic acid;zirconium is CCC(=O)O.CCC(=O)O.CCC(=O)O.[Zr].
What is the InChIKey of propanoic acid;zirconium?
The InChIKey is CNKOXJLTHVEQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H6O2.Zr/c3*1-2-3(4)5;/h3*2H2,1H3,(H,4,5);.
What are the key properties of propanoic acid;zirconium?
propanoic acid;zirconium has a molecular weight of 313.46 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;zirconium is sourced from PubChem (CID 88666887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).