nickel(2+);phthalate

C8H4NiO4 — CID 15798393

IUPACnickel(2+);phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].[Ni+2]
InChIInChI=1S/C8H6O4.Ni/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2
InChIKeyYHSKWXTXQWGSIG-UHFFFAOYSA-L
MW222.81 g/mol
LogP-1.59
Rot. Bonds2

About nickel(2+);phthalate

nickel(2+);phthalate (PubChem CID 15798393) has the molecular formula C8H4NiO4 and a molecular weight of 222.81 g/mol. Its IUPAC name is nickel(2+);phthalate.

Molecular Properties

Compound Namenickel(2+);phthalate
PubChem CID15798393
Molecular FormulaC8H4NiO4
Molecular Weight222.81 g/mol
Exact Mass221.95
IUPAC Namenickel(2+);phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].[Ni+2]
InChIInChI=1S/C8H6O4.Ni/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2
InChIKeyYHSKWXTXQWGSIG-UHFFFAOYSA-L
XLogP-1.59
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.81
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102446618
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CID 173427098
lead(2+) dihydride;phthalate
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disodium;hydron;phthalate
CID 23089010
strontium;barium(2+);phthalate;zirconium(4+)
CID 174634619
dibismuth;phthalate;urea
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2-carboxybenzoate;thallium(1+)
CID 101403196
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2-carbamoylbenzoate
CID 3373391

Frequently Asked Questions

What is the IUPAC name of nickel(2+);phthalate?
The IUPAC name of nickel(2+);phthalate (CID 15798393) is nickel(2+);phthalate.
What is the SMILES notation for nickel(2+);phthalate?
The canonical SMILES for nickel(2+);phthalate is O=C([O-])c1ccccc1C(=O)[O-].[Ni+2].
What is the InChIKey of nickel(2+);phthalate?
The InChIKey is YHSKWXTXQWGSIG-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.Ni/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2.
What are the key properties of nickel(2+);phthalate?
nickel(2+);phthalate has a molecular weight of 222.81 g/mol, XLogP of -1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);phthalate is sourced from PubChem (CID 15798393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).