ethylphosphonic acid;zirconium

C2H7O3PZr — CID 161117919

IUPACethylphosphonic acid;zirconium
SMILESCCP(=O)(O)O.[Zr]
InChIInChI=1S/C2H7O3P.Zr/c1-2-6(3,4)5;/h2H2,1H3,(H2,3,4,5);
InChIKeyUKOGGUYTMFBDAY-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.18
Rot. Bonds1

About ethylphosphonic acid;zirconium

ethylphosphonic acid;zirconium (PubChem CID 161117919) has the molecular formula C2H7O3PZr and a molecular weight of 201.27 g/mol. Its IUPAC name is ethylphosphonic acid;zirconium.

Molecular Properties

Compound Nameethylphosphonic acid;zirconium
PubChem CID161117919
Molecular FormulaC2H7O3PZr
Molecular Weight201.27 g/mol
Exact Mass199.92
IUPAC Nameethylphosphonic acid;zirconium
SMILESCCP(=O)(O)O.[Zr]
InChIInChI=1S/C2H7O3P.Zr/c1-2-6(3,4)5;/h2H2,1H3,(H2,3,4,5);
InChIKeyUKOGGUYTMFBDAY-UHFFFAOYSA-N
XLogP0.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethylphosphonic acid;phosphoric acid
CID 87124135
sodium;ethylphosphonic acid;hydride
CID 173023675
sodium;ethylphosphonic acid;hydride;hydrate
CID 174785976
N-ethylethanamine;ethylphosphonic acid
CID 174663902
diethylphosphinic acid
CID 123698390
2-chloroethanamine;ethylphosphonic acid
CID 87993583
cyclobutane;ethylphosphonic acid;propane;propanoic acid
CID 158645124
ethylphosphonic acid;(1-hydroxy-1-phosphonopropyl)phosphonic acid
CID 162206462
bis(diethylphosphinic acid);zinc
CID 91997271
CID 162139470
CID 162139470
azane;phosphonomethylphosphonic acid
CID 18674565
phosphonomethylphosphonic acid;phosphoric acid
CID 174390883

Frequently Asked Questions

What is the IUPAC name of ethylphosphonic acid;zirconium?
The IUPAC name of ethylphosphonic acid;zirconium (CID 161117919) is ethylphosphonic acid;zirconium.
What is the SMILES notation for ethylphosphonic acid;zirconium?
The canonical SMILES for ethylphosphonic acid;zirconium is CCP(=O)(O)O.[Zr].
What is the InChIKey of ethylphosphonic acid;zirconium?
The InChIKey is UKOGGUYTMFBDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O3P.Zr/c1-2-6(3,4)5;/h2H2,1H3,(H2,3,4,5);.
What are the key properties of ethylphosphonic acid;zirconium?
ethylphosphonic acid;zirconium has a molecular weight of 201.27 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphonic acid;zirconium is sourced from PubChem (CID 161117919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).