zinc;zinc;carbonate;dihydrate

CH4O5Zn2 — CID 11310663

IUPACzinc;zinc;carbonate;dihydrate
SMILESO.O.O=C([O-])[O-].[Zn+2].[Zn]
InChIInChI=1S/CH2O3.2H2O.2Zn/c2-1(3)4;;;;/h(H2,2,3,4);2*1H2;;/q;;;;+2/p-2
InChIKeyPUAZZSVJUBELPQ-UHFFFAOYSA-L
MW226.82 g/mol
LogP-4.10
Rot. Bonds

About zinc;zinc;carbonate;dihydrate

zinc;zinc;carbonate;dihydrate (PubChem CID 11310663) has the molecular formula CH4O5Zn2 and a molecular weight of 226.82 g/mol. Its IUPAC name is zinc;zinc;carbonate;dihydrate.

Molecular Properties

Compound Namezinc;zinc;carbonate;dihydrate
PubChem CID11310663
Molecular FormulaCH4O5Zn2
Molecular Weight226.82 g/mol
Exact Mass223.86
IUPAC Namezinc;zinc;carbonate;dihydrate
SMILESO.O.O=C([O-])[O-].[Zn+2].[Zn]
InChIInChI=1S/CH2O3.2H2O.2Zn/c2-1(3)4;;;;/h(H2,2,3,4);2*1H2;;/q;;;;+2/p-2
InChIKeyPUAZZSVJUBELPQ-UHFFFAOYSA-L
XLogP-4.10
TPSA126.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.82
LogP ≤ 5-4.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;zinc;carbonate;dihydrate?
The IUPAC name of zinc;zinc;carbonate;dihydrate (CID 11310663) is zinc;zinc;carbonate;dihydrate.
What is the SMILES notation for zinc;zinc;carbonate;dihydrate?
The canonical SMILES for zinc;zinc;carbonate;dihydrate is O.O.O=C([O-])[O-].[Zn+2].[Zn].
What is the InChIKey of zinc;zinc;carbonate;dihydrate?
The InChIKey is PUAZZSVJUBELPQ-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.2H2O.2Zn/c2-1(3)4;;;;/h(H2,2,3,4);2*1H2;;/q;;;;+2/p-2.
What are the key properties of zinc;zinc;carbonate;dihydrate?
zinc;zinc;carbonate;dihydrate has a molecular weight of 226.82 g/mol, XLogP of -4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;zinc;carbonate;dihydrate is sourced from PubChem (CID 11310663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).