zinc;2-oxopropanoate;trihydrate

C3H9O6Zn+ — CID 18364061

IUPACzinc;2-oxopropanoate;trihydrate
SMILESCC(=O)C(=O)[O-].O.O.O.[Zn+2]
InChIInChI=1S/C3H4O3.3H2O.Zn/c1-2(4)3(5)6;;;;/h1H3,(H,5,6);3*1H2;/q;;;;+2/p-1
InChIKeyBSCNTNRHIFTQQP-UHFFFAOYSA-M
MW206.49 g/mol
LogP-4.15
Rot. Bonds1

About zinc;2-oxopropanoate;trihydrate

zinc;2-oxopropanoate;trihydrate (PubChem CID 18364061) has the molecular formula C3H9O6Zn+ and a molecular weight of 206.49 g/mol. Its IUPAC name is zinc;2-oxopropanoate;trihydrate.

Molecular Properties

Compound Namezinc;2-oxopropanoate;trihydrate
PubChem CID18364061
Molecular FormulaC3H9O6Zn+
Molecular Weight206.49 g/mol
Exact Mass204.97
IUPAC Namezinc;2-oxopropanoate;trihydrate
SMILESCC(=O)C(=O)[O-].O.O.O.[Zn+2]
InChIInChI=1S/C3H4O3.3H2O.Zn/c1-2(4)3(5)6;;;;/h1H3,(H,5,6);3*1H2;/q;;;;+2/p-1
InChIKeyBSCNTNRHIFTQQP-UHFFFAOYSA-M
XLogP-4.15
TPSA151.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.49
LogP ≤ 5-4.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 18324280
cesium 2-oxopropanoate
CID 23676701
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dizinc;tetraacetate;tetrahydrate
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2-oxopropanoate;oxygen(2-);vanadium(4+);acetate
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zinc;oxalate;hexahydrate
CID 175037581
zinc;oxalate;dihydrate
CID 516787
dizinc;oxalate;hydrate
CID 175884048
sodium;zinc;acetate;hydroxide;dihydrate
CID 172844244
tetrasodium;tetraacetate;hydrate
CID 141360802
iron(2+);diacetate;heptahydrate
CID 173209391

Frequently Asked Questions

What is the IUPAC name of zinc;2-oxopropanoate;trihydrate?
The IUPAC name of zinc;2-oxopropanoate;trihydrate (CID 18364061) is zinc;2-oxopropanoate;trihydrate.
What is the SMILES notation for zinc;2-oxopropanoate;trihydrate?
The canonical SMILES for zinc;2-oxopropanoate;trihydrate is CC(=O)C(=O)[O-].O.O.O.[Zn+2].
What is the InChIKey of zinc;2-oxopropanoate;trihydrate?
The InChIKey is BSCNTNRHIFTQQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4O3.3H2O.Zn/c1-2(4)3(5)6;;;;/h1H3,(H,5,6);3*1H2;/q;;;;+2/p-1.
What are the key properties of zinc;2-oxopropanoate;trihydrate?
zinc;2-oxopropanoate;trihydrate has a molecular weight of 206.49 g/mol, XLogP of -4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-oxopropanoate;trihydrate is sourced from PubChem (CID 18364061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).