formic acid;zinc;dihydrate

C2H8O6Zn — CID 91886439

IUPACformic acid;zinc;dihydrate
SMILESO.O.O=CO.O=CO.[Zn]
InChIInChI=1S/2CH2O2.2H2O.Zn/c2*2-1-3;;;/h2*1H,(H,2,3);2*1H2;
InChIKeyYBPCLGXDVHWAAI-UHFFFAOYSA-N
MW193.47 g/mol
LogP-2.25
Rot. Bonds

About formic acid;zinc;dihydrate

formic acid;zinc;dihydrate (PubChem CID 91886439) has the molecular formula C2H8O6Zn and a molecular weight of 193.47 g/mol. Its IUPAC name is formic acid;zinc;dihydrate.

Molecular Properties

Compound Nameformic acid;zinc;dihydrate
PubChem CID91886439
Molecular FormulaC2H8O6Zn
Molecular Weight193.47 g/mol
Exact Mass191.96
IUPAC Nameformic acid;zinc;dihydrate
SMILESO.O.O=CO.O=CO.[Zn]
InChIInChI=1S/2CH2O2.2H2O.Zn/c2*2-1-3;;;/h2*1H,(H,2,3);2*1H2;
InChIKeyYBPCLGXDVHWAAI-UHFFFAOYSA-N
XLogP-2.25
TPSA137.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.47
LogP ≤ 5-2.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;zinc;dihydrate?
The IUPAC name of formic acid;zinc;dihydrate (CID 91886439) is formic acid;zinc;dihydrate.
What is the SMILES notation for formic acid;zinc;dihydrate?
The canonical SMILES for formic acid;zinc;dihydrate is O.O.O=CO.O=CO.[Zn].
What is the InChIKey of formic acid;zinc;dihydrate?
The InChIKey is YBPCLGXDVHWAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2O2.2H2O.Zn/c2*2-1-3;;;/h2*1H,(H,2,3);2*1H2;.
What are the key properties of formic acid;zinc;dihydrate?
formic acid;zinc;dihydrate has a molecular weight of 193.47 g/mol, XLogP of -2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;zinc;dihydrate is sourced from PubChem (CID 91886439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).