zirconium formate

CHO2Zr- — CID 3015525

IUPACzirconium formate
SMILESO=C[O-].[Zr]
InChIInChI=1S/CH2O2.Zr/c2-1-3;/h1H,(H,2,3);/p-1
InChIKeyHZHXGUXTFHBONU-UHFFFAOYSA-M
MW136.24 g/mol
LogP-1.64
Rot. Bonds

About zirconium formate

zirconium formate (PubChem CID 3015525) has the molecular formula CHO2Zr- and a molecular weight of 136.24 g/mol. Its IUPAC name is zirconium formate.

Molecular Properties

Compound Namezirconium formate
PubChem CID3015525
Molecular FormulaCHO2Zr-
Molecular Weight136.24 g/mol
Exact Mass134.90
IUPAC Namezirconium formate
SMILESO=C[O-].[Zr]
InChIInChI=1S/CH2O2.Zr/c2-1-3;/h1H,(H,2,3);/p-1
InChIKeyHZHXGUXTFHBONU-UHFFFAOYSA-M
XLogP-1.64
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zirconium formate?
The IUPAC name of zirconium formate (CID 3015525) is zirconium formate.
What is the SMILES notation for zirconium formate?
The canonical SMILES for zirconium formate is O=C[O-].[Zr].
What is the InChIKey of zirconium formate?
The InChIKey is HZHXGUXTFHBONU-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2O2.Zr/c2-1-3;/h1H,(H,2,3);/p-1.
What are the key properties of zirconium formate?
zirconium formate has a molecular weight of 136.24 g/mol, XLogP of -1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zirconium formate is sourced from PubChem (CID 3015525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).