acetic acid;zinc;dihydrate

C2H8O4Zn — CID 164890441

IUPACacetic acid;zinc;dihydrate
SMILESCC(=O)O.O.O.[Zn]
InChIInChI=1S/C2H4O2.2H2O.Zn/c1-2(3)4;;;/h1H3,(H,3,4);2*1H2;
InChIKeyWEUCTTBUEWINIJ-UHFFFAOYSA-N
MW161.47 g/mol
LogP-1.56
Rot. Bonds

About acetic acid;zinc;dihydrate

acetic acid;zinc;dihydrate (PubChem CID 164890441) has the molecular formula C2H8O4Zn and a molecular weight of 161.47 g/mol. Its IUPAC name is acetic acid;zinc;dihydrate.

Molecular Properties

Compound Nameacetic acid;zinc;dihydrate
PubChem CID164890441
Molecular FormulaC2H8O4Zn
Molecular Weight161.47 g/mol
Exact Mass159.97
IUPAC Nameacetic acid;zinc;dihydrate
SMILESCC(=O)O.O.O.[Zn]
InChIInChI=1S/C2H4O2.2H2O.Zn/c1-2(3)4;;;/h1H3,(H,3,4);2*1H2;
InChIKeyWEUCTTBUEWINIJ-UHFFFAOYSA-N
XLogP-1.56
TPSA100.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.47
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 acetic acid;zinc;dihydrate?
The IUPAC name of acetic acid;zinc;dihydrate (CID 164890441) is acetic acid;zinc;dihydrate.
What is the SMILES notation for acetic acid;zinc;dihydrate?
The canonical SMILES for acetic acid;zinc;dihydrate is CC(=O)O.O.O.[Zn].
What is the InChIKey of acetic acid;zinc;dihydrate?
The InChIKey is WEUCTTBUEWINIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.2H2O.Zn/c1-2(3)4;;;/h1H3,(H,3,4);2*1H2;.
What are the key properties of acetic acid;zinc;dihydrate?
acetic acid;zinc;dihydrate has a molecular weight of 161.47 g/mol, XLogP of -1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;zinc;dihydrate is sourced from PubChem (CID 164890441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).