2-methylpropanoic acid;propanoic acid;zirconium

C7H14O4Zr — CID 175540566

IUPAC2-methylpropanoic acid;propanoic acid;zirconium
SMILESCC(C)C(=O)O.CCC(=O)O.[Zr]
InChIInChI=1S/C4H8O2.C3H6O2.Zr/c1-3(2)4(5)6;1-2-3(4)5;/h3H,1-2H3,(H,5,6);2H2,1H3,(H,4,5);
InChIKeyFZDPKISMTJXKPR-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.21
Rot. Bonds2

About 2-methylpropanoic acid;propanoic acid;zirconium

2-methylpropanoic acid;propanoic acid;zirconium (PubChem CID 175540566) has the molecular formula C7H14O4Zr and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methylpropanoic acid;propanoic acid;zirconium.

Molecular Properties

Compound Name2-methylpropanoic acid;propanoic acid;zirconium
PubChem CID175540566
Molecular FormulaC7H14O4Zr
Molecular Weight253.41 g/mol
Exact Mass251.99
IUPAC Name2-methylpropanoic acid;propanoic acid;zirconium
SMILESCC(C)C(=O)O.CCC(=O)O.[Zr]
InChIInChI=1S/C4H8O2.C3H6O2.Zr/c1-3(2)4(5)6;1-2-3(4)5;/h3H,1-2H3,(H,5,6);2H2,1H3,(H,4,5);
InChIKeyFZDPKISMTJXKPR-UHFFFAOYSA-N
XLogP1.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoic acid;propanoic acid;zirconium?
The IUPAC name of 2-methylpropanoic acid;propanoic acid;zirconium (CID 175540566) is 2-methylpropanoic acid;propanoic acid;zirconium.
What is the SMILES notation for 2-methylpropanoic acid;propanoic acid;zirconium?
The canonical SMILES for 2-methylpropanoic acid;propanoic acid;zirconium is CC(C)C(=O)O.CCC(=O)O.[Zr].
What is the InChIKey of 2-methylpropanoic acid;propanoic acid;zirconium?
The InChIKey is FZDPKISMTJXKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H6O2.Zr/c1-3(2)4(5)6;1-2-3(4)5;/h3H,1-2H3,(H,5,6);2H2,1H3,(H,4,5);.
What are the key properties of 2-methylpropanoic acid;propanoic acid;zirconium?
2-methylpropanoic acid;propanoic acid;zirconium has a molecular weight of 253.41 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid;propanoic acid;zirconium is sourced from PubChem (CID 175540566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).