(Z)-but-2-enedioic acid;nickel

C4H4NiO4 — CID 24883656

IUPAC(Z)-but-2-enedioic acid;nickel
SMILESO=C(O)/C=C\C(=O)O.[Ni]
InChIInChI=1S/C4H4O4.Ni/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;
InChIKeyBHIJGQUZXXURRH-ODZAUARKSA-N
MW174.76 g/mol
LogP-0.29
Rot. Bonds2

About (Z)-but-2-enedioic acid;nickel

(Z)-but-2-enedioic acid;nickel (PubChem CID 24883656) has the molecular formula C4H4NiO4 and a molecular weight of 174.76 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;nickel.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;nickel
PubChem CID24883656
Molecular FormulaC4H4NiO4
Molecular Weight174.76 g/mol
Exact Mass173.95
IUPAC Name(Z)-but-2-enedioic acid;nickel
SMILESO=C(O)/C=C\C(=O)O.[Ni]
InChIInChI=1S/C4H4O4.Ni/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;
InChIKeyBHIJGQUZXXURRH-ODZAUARKSA-N
XLogP-0.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.76
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;hydrate
CID 86620054
CID 76552400
CID 76552400
(Z)-but-2-enedioic acid;gold
CID 174837134
but-2-enedioic acid;dihydrate
CID 76541248
azane;bis((E)-but-2-enedioic acid)
CID 87996706
(Z)-but-2-enedioic acid;neodymium
CID 87072249
(Z)-but-2-enedioic acid;silver
CID 11002022

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;nickel?
The IUPAC name of (Z)-but-2-enedioic acid;nickel (CID 24883656) is (Z)-but-2-enedioic acid;nickel.
What is the SMILES notation for (Z)-but-2-enedioic acid;nickel?
The canonical SMILES for (Z)-but-2-enedioic acid;nickel is O=C(O)/C=C\C(=O)O.[Ni].
What is the InChIKey of (Z)-but-2-enedioic acid;nickel?
The InChIKey is BHIJGQUZXXURRH-ODZAUARKSA-N. The full InChI is InChI=1S/C4H4O4.Ni/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;.
What are the key properties of (Z)-but-2-enedioic acid;nickel?
(Z)-but-2-enedioic acid;nickel has a molecular weight of 174.76 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;nickel is sourced from PubChem (CID 24883656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).