acetic acid;nickel(2+);diacetate

C6H10NiO6 — CID 159615318

IUPACacetic acid;nickel(2+);diacetate
SMILESCC(=O)O.CC(=O)[O-].CC(=O)[O-].[Ni+2]
InChIInChI=1S/3C2H4O2.Ni/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyMNFCIJKGZXKNCH-UHFFFAOYSA-L
MW236.83 g/mol
LogP-2.40
Rot. Bonds

About acetic acid;nickel(2+);diacetate

acetic acid;nickel(2+);diacetate (PubChem CID 159615318) has the molecular formula C6H10NiO6 and a molecular weight of 236.83 g/mol. Its IUPAC name is acetic acid;nickel(2+);diacetate.

Molecular Properties

Compound Nameacetic acid;nickel(2+);diacetate
PubChem CID159615318
Molecular FormulaC6H10NiO6
Molecular Weight236.83 g/mol
Exact Mass235.98
IUPAC Nameacetic acid;nickel(2+);diacetate
SMILESCC(=O)O.CC(=O)[O-].CC(=O)[O-].[Ni+2]
InChIInChI=1S/3C2H4O2.Ni/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyMNFCIJKGZXKNCH-UHFFFAOYSA-L
XLogP-2.40
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.83
LogP ≤ 5-2.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;iron(3+);triacetate
CID 175778067
cesium;acetic acid;acetate
CID 175712747
dipotassium;acetic acid;diacetate
CID 158588749
disodium;acetic acid;diacetate
CID 173429672
acetic acid;yttrium(3+);triacetate
CID 175880904
tetrasodium;acetic acid;tetraacetate
CID 175423347
sodium;acetic acid;acetate
CID 173223990
potassium;acetic acid;phosphane;acetate
CID 172706632
trisodium;hydrogen carbonate;acetate;hydroxide
CID 169079975
lithium;acetic acid;palladium;acetate
CID 154700306
disodium;acetic acid;diacetate;dihydrate
CID 157440241
bis(zirconium(4+));acetate;hydroxide
CID 172795489

Frequently Asked Questions

What is the IUPAC name of acetic acid;nickel(2+);diacetate?
The IUPAC name of acetic acid;nickel(2+);diacetate (CID 159615318) is acetic acid;nickel(2+);diacetate.
What is the SMILES notation for acetic acid;nickel(2+);diacetate?
The canonical SMILES for acetic acid;nickel(2+);diacetate is CC(=O)O.CC(=O)[O-].CC(=O)[O-].[Ni+2].
What is the InChIKey of acetic acid;nickel(2+);diacetate?
The InChIKey is MNFCIJKGZXKNCH-UHFFFAOYSA-L. The full InChI is InChI=1S/3C2H4O2.Ni/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of acetic acid;nickel(2+);diacetate?
acetic acid;nickel(2+);diacetate has a molecular weight of 236.83 g/mol, XLogP of -2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;nickel(2+);diacetate is sourced from PubChem (CID 159615318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).