bis(zirconium(2+));carbonate;dihydroxide;dihydrate

CH6O7Zr2 — CID 131675351

IUPACbis(zirconium(2+));carbonate;dihydroxide;dihydrate
SMILESO.O.O=C([O-])[O-].[OH-].[OH-].[Zr+2].[Zr+2]
InChIInChI=1S/CH2O3.4H2O.2Zr/c2-1(3)4;;;;;;/h(H2,2,3,4);4*1H2;;/q;;;;;2*+2/p-4
InChIKeyJOADZWACLWUMON-UHFFFAOYSA-J
MW312.50 g/mol
LogP-4.45
Rot. Bonds

About bis(zirconium(2+));carbonate;dihydroxide;dihydrate

bis(zirconium(2+));carbonate;dihydroxide;dihydrate (PubChem CID 131675351) has the molecular formula CH6O7Zr2 and a molecular weight of 312.50 g/mol. Its IUPAC name is bis(zirconium(2+));carbonate;dihydroxide;dihydrate.

Molecular Properties

Compound Namebis(zirconium(2+));carbonate;dihydroxide;dihydrate
PubChem CID131675351
Molecular FormulaCH6O7Zr2
Molecular Weight312.50 g/mol
Exact Mass309.82
IUPAC Namebis(zirconium(2+));carbonate;dihydroxide;dihydrate
SMILESO.O.O=C([O-])[O-].[OH-].[OH-].[Zr+2].[Zr+2]
InChIInChI=1S/CH2O3.4H2O.2Zr/c2-1(3)4;;;;;;/h(H2,2,3,4);4*1H2;;/q;;;;;2*+2/p-4
InChIKeyJOADZWACLWUMON-UHFFFAOYSA-J
XLogP-4.45
TPSA186.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 5-4.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(zirconium(2+));carbonate;dihydroxide;dihydrate?
The IUPAC name of bis(zirconium(2+));carbonate;dihydroxide;dihydrate (CID 131675351) is bis(zirconium(2+));carbonate;dihydroxide;dihydrate.
What is the SMILES notation for bis(zirconium(2+));carbonate;dihydroxide;dihydrate?
The canonical SMILES for bis(zirconium(2+));carbonate;dihydroxide;dihydrate is O.O.O=C([O-])[O-].[OH-].[OH-].[Zr+2].[Zr+2].
What is the InChIKey of bis(zirconium(2+));carbonate;dihydroxide;dihydrate?
The InChIKey is JOADZWACLWUMON-UHFFFAOYSA-J. The full InChI is InChI=1S/CH2O3.4H2O.2Zr/c2-1(3)4;;;;;;/h(H2,2,3,4);4*1H2;;/q;;;;;2*+2/p-4.
What are the key properties of bis(zirconium(2+));carbonate;dihydroxide;dihydrate?
bis(zirconium(2+));carbonate;dihydroxide;dihydrate has a molecular weight of 312.50 g/mol, XLogP of -4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(zirconium(2+));carbonate;dihydroxide;dihydrate is sourced from PubChem (CID 131675351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).