acetic acid;zinc;trihydrate

C2H10O5Zn — CID 173017451

IUPACacetic acid;zinc;trihydrate
SMILESCC(=O)O.O.O.O.[Zn]
InChIInChI=1S/C2H4O2.3H2O.Zn/c1-2(3)4;;;;/h1H3,(H,3,4);3*1H2;
InChIKeyABLJDJCLYXKMOZ-UHFFFAOYSA-N
MW179.49 g/mol
LogP-2.39
Rot. Bonds

About acetic acid;zinc;trihydrate

acetic acid;zinc;trihydrate (PubChem CID 173017451) has the molecular formula C2H10O5Zn and a molecular weight of 179.49 g/mol. Its IUPAC name is acetic acid;zinc;trihydrate.

Molecular Properties

Compound Nameacetic acid;zinc;trihydrate
PubChem CID173017451
Molecular FormulaC2H10O5Zn
Molecular Weight179.49 g/mol
Exact Mass177.98
IUPAC Nameacetic acid;zinc;trihydrate
SMILESCC(=O)O.O.O.O.[Zn]
InChIInChI=1S/C2H4O2.3H2O.Zn/c1-2(3)4;;;;/h1H3,(H,3,4);3*1H2;
InChIKeyABLJDJCLYXKMOZ-UHFFFAOYSA-N
XLogP-2.39
TPSA131.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.49
LogP ≤ 5-2.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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acetic acid;chromium;tetrahydrate
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Frequently Asked Questions

What is the IUPAC name of acetic acid;zinc;trihydrate?
The IUPAC name of acetic acid;zinc;trihydrate (CID 173017451) is acetic acid;zinc;trihydrate.
What is the SMILES notation for acetic acid;zinc;trihydrate?
The canonical SMILES for acetic acid;zinc;trihydrate is CC(=O)O.O.O.O.[Zn].
What is the InChIKey of acetic acid;zinc;trihydrate?
The InChIKey is ABLJDJCLYXKMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.3H2O.Zn/c1-2(3)4;;;;/h1H3,(H,3,4);3*1H2;.
What are the key properties of acetic acid;zinc;trihydrate?
acetic acid;zinc;trihydrate has a molecular weight of 179.49 g/mol, XLogP of -2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;zinc;trihydrate is sourced from PubChem (CID 173017451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).