ethanone;oxozinc

C2H3O2Zn- — CID 58527707

IUPACethanone;oxozinc
SMILESC[C-]=O.O=[Zn]
InChIInChI=1S/C2H3O.O.Zn/c1-2-3;;/h1H3;;/q-1;;
InChIKeyQZOIAZLLWQCYQN-UHFFFAOYSA-N
MW124.43 g/mol
LogP-0.01
Rot. Bonds

About ethanone;oxozinc

ethanone;oxozinc (PubChem CID 58527707) has the molecular formula C2H3O2Zn- and a molecular weight of 124.43 g/mol. Its IUPAC name is ethanone;oxozinc.

Molecular Properties

Compound Nameethanone;oxozinc
PubChem CID58527707
Molecular FormulaC2H3O2Zn-
Molecular Weight124.43 g/mol
Exact Mass122.94
IUPAC Nameethanone;oxozinc
SMILESC[C-]=O.O=[Zn]
InChIInChI=1S/C2H3O.O.Zn/c1-2-3;;/h1H3;;/q-1;;
InChIKeyQZOIAZLLWQCYQN-UHFFFAOYSA-N
XLogP-0.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanone;oxozinc?
The IUPAC name of ethanone;oxozinc (CID 58527707) is ethanone;oxozinc.
What is the SMILES notation for ethanone;oxozinc?
The canonical SMILES for ethanone;oxozinc is C[C-]=O.O=[Zn].
What is the InChIKey of ethanone;oxozinc?
The InChIKey is QZOIAZLLWQCYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O.O.Zn/c1-2-3;;/h1H3;;/q-1;;.
What are the key properties of ethanone;oxozinc?
ethanone;oxozinc has a molecular weight of 124.43 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;oxozinc is sourced from PubChem (CID 58527707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).