copper;propanoic acid

C6H12CuO4 — CID 5150615

IUPACcopper;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.[Cu]
InChIInChI=1S/2C3H6O2.Cu/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);
InChIKeyNIDJXCIBEJZQFF-UHFFFAOYSA-N
MW211.70 g/mol
LogP0.96
Rot. Bonds2

About copper;propanoic acid

copper;propanoic acid (PubChem CID 5150615) has the molecular formula C6H12CuO4 and a molecular weight of 211.70 g/mol. Its IUPAC name is copper;propanoic acid.

Molecular Properties

Compound Namecopper;propanoic acid
PubChem CID5150615
Molecular FormulaC6H12CuO4
Molecular Weight211.70 g/mol
Exact Mass211.00
IUPAC Namecopper;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.[Cu]
InChIInChI=1S/2C3H6O2.Cu/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);
InChIKeyNIDJXCIBEJZQFF-UHFFFAOYSA-N
XLogP0.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of copper;propanoic acid?
The IUPAC name of copper;propanoic acid (CID 5150615) is copper;propanoic acid.
What is the SMILES notation for copper;propanoic acid?
The canonical SMILES for copper;propanoic acid is CCC(=O)O.CCC(=O)O.[Cu].
What is the InChIKey of copper;propanoic acid?
The InChIKey is NIDJXCIBEJZQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.Cu/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);.
What are the key properties of copper;propanoic acid?
copper;propanoic acid has a molecular weight of 211.70 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;propanoic acid is sourced from PubChem (CID 5150615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).