copper;bis(furan-2-carboxylate);furan-2-carboxylic acid

C15H10CuO9 — CID 158113396

IUPACcopper;bis(furan-2-carboxylate);furan-2-carboxylic acid
SMILESO=C(O)c1ccco1.O=C([O-])c1ccco1.O=C([O-])c1ccco1.[Cu+2]
InChIInChI=1S/3C5H4O3.Cu/c3*6-5(7)4-2-1-3-8-4;/h3*1-3H,(H,6,7);/q;;;+2/p-2
InChIKeyFQSDABGLIADSPS-UHFFFAOYSA-L
MW397.78 g/mol
LogP0.26
Rot. Bonds3

About copper;bis(furan-2-carboxylate);furan-2-carboxylic acid

copper;bis(furan-2-carboxylate);furan-2-carboxylic acid (PubChem CID 158113396) has the molecular formula C15H10CuO9 and a molecular weight of 397.78 g/mol. Its IUPAC name is copper;bis(furan-2-carboxylate);furan-2-carboxylic acid.

Molecular Properties

Compound Namecopper;bis(furan-2-carboxylate);furan-2-carboxylic acid
PubChem CID158113396
Molecular FormulaC15H10CuO9
Molecular Weight397.78 g/mol
Exact Mass396.96
IUPAC Namecopper;bis(furan-2-carboxylate);furan-2-carboxylic acid
SMILESO=C(O)c1ccco1.O=C([O-])c1ccco1.O=C([O-])c1ccco1.[Cu+2]
InChIInChI=1S/3C5H4O3.Cu/c3*6-5(7)4-2-1-3-8-4;/h3*1-3H,(H,6,7);/q;;;+2/p-2
InChIKeyFQSDABGLIADSPS-UHFFFAOYSA-L
XLogP0.26
TPSA156.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 140900702
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calcium;bis(furan-2-carboxylate);hydrate
CID 160535503
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
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furan-2-carboxylic acid;silver
CID 87285311
furan-2-carboxylic acid;methanol
CID 70611195
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CID 82372767
furan-2-carboxylic acid;furan-2,5-dicarboxylic acid
CID 158946082
furan-2-carboxylic acid;pyrazine
CID 158159204
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CID 162078392

Frequently Asked Questions

What is the IUPAC name of copper;bis(furan-2-carboxylate);furan-2-carboxylic acid?
The IUPAC name of copper;bis(furan-2-carboxylate);furan-2-carboxylic acid (CID 158113396) is copper;bis(furan-2-carboxylate);furan-2-carboxylic acid.
What is the SMILES notation for copper;bis(furan-2-carboxylate);furan-2-carboxylic acid?
The canonical SMILES for copper;bis(furan-2-carboxylate);furan-2-carboxylic acid is O=C(O)c1ccco1.O=C([O-])c1ccco1.O=C([O-])c1ccco1.[Cu+2].
What is the InChIKey of copper;bis(furan-2-carboxylate);furan-2-carboxylic acid?
The InChIKey is FQSDABGLIADSPS-UHFFFAOYSA-L. The full InChI is InChI=1S/3C5H4O3.Cu/c3*6-5(7)4-2-1-3-8-4;/h3*1-3H,(H,6,7);/q;;;+2/p-2.
What are the key properties of copper;bis(furan-2-carboxylate);furan-2-carboxylic acid?
copper;bis(furan-2-carboxylate);furan-2-carboxylic acid has a molecular weight of 397.78 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(furan-2-carboxylate);furan-2-carboxylic acid is sourced from PubChem (CID 158113396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).