acetic acid;nickel;tetrahydrate

C2H12Ni2O6 — CID 173328850

IUPACacetic acid;nickel;tetrahydrate
SMILESCC(=O)O.O.O.O.O.[Ni].[Ni]
InChIInChI=1S/C2H4O2.2Ni.4H2O/c1-2(3)4;;;;;;/h1H3,(H,3,4);;;4*1H2
InChIKeyXBIFKTUFYYLTDW-UHFFFAOYSA-N
MW249.50 g/mol
LogP-3.21
Rot. Bonds

About acetic acid;nickel;tetrahydrate

acetic acid;nickel;tetrahydrate (PubChem CID 173328850) has the molecular formula C2H12Ni2O6 and a molecular weight of 249.50 g/mol. Its IUPAC name is acetic acid;nickel;tetrahydrate.

Molecular Properties

Compound Nameacetic acid;nickel;tetrahydrate
PubChem CID173328850
Molecular FormulaC2H12Ni2O6
Molecular Weight249.50 g/mol
Exact Mass247.93
IUPAC Nameacetic acid;nickel;tetrahydrate
SMILESCC(=O)O.O.O.O.O.[Ni].[Ni]
InChIInChI=1S/C2H4O2.2Ni.4H2O/c1-2(3)4;;;;;;/h1H3,(H,3,4);;;4*1H2
InChIKeyXBIFKTUFYYLTDW-UHFFFAOYSA-N
XLogP-3.21
TPSA163.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.50
LogP ≤ 5-3.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;nickel;tetrahydrate?
The IUPAC name of acetic acid;nickel;tetrahydrate (CID 173328850) is acetic acid;nickel;tetrahydrate.
What is the SMILES notation for acetic acid;nickel;tetrahydrate?
The canonical SMILES for acetic acid;nickel;tetrahydrate is CC(=O)O.O.O.O.O.[Ni].[Ni].
What is the InChIKey of acetic acid;nickel;tetrahydrate?
The InChIKey is XBIFKTUFYYLTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.2Ni.4H2O/c1-2(3)4;;;;;;/h1H3,(H,3,4);;;4*1H2.
What are the key properties of acetic acid;nickel;tetrahydrate?
acetic acid;nickel;tetrahydrate has a molecular weight of 249.50 g/mol, XLogP of -3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;nickel;tetrahydrate is sourced from PubChem (CID 173328850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).