copper;propanoic acid;hydrate

C3H8CuO3 — CID 87996764

IUPACcopper;propanoic acid;hydrate
SMILESCCC(=O)O.O.[Cu]
InChIInChI=1S/C3H6O2.Cu.H2O/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);;1H2
InChIKeyJWSFDEVAAIOBFF-UHFFFAOYSA-N
MW155.64 g/mol
LogP-0.35
Rot. Bonds1

About copper;propanoic acid;hydrate

copper;propanoic acid;hydrate (PubChem CID 87996764) has the molecular formula C3H8CuO3 and a molecular weight of 155.64 g/mol. Its IUPAC name is copper;propanoic acid;hydrate.

Molecular Properties

Compound Namecopper;propanoic acid;hydrate
PubChem CID87996764
Molecular FormulaC3H8CuO3
Molecular Weight155.64 g/mol
Exact Mass154.98
IUPAC Namecopper;propanoic acid;hydrate
SMILESCCC(=O)O.O.[Cu]
InChIInChI=1S/C3H6O2.Cu.H2O/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);;1H2
InChIKeyJWSFDEVAAIOBFF-UHFFFAOYSA-N
XLogP-0.35
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.64
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54601332
propanoic acid;dihydrochloride
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CID 173419874
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CID 59015039

Frequently Asked Questions

What is the IUPAC name of copper;propanoic acid;hydrate?
The IUPAC name of copper;propanoic acid;hydrate (CID 87996764) is copper;propanoic acid;hydrate.
What is the SMILES notation for copper;propanoic acid;hydrate?
The canonical SMILES for copper;propanoic acid;hydrate is CCC(=O)O.O.[Cu].
What is the InChIKey of copper;propanoic acid;hydrate?
The InChIKey is JWSFDEVAAIOBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Cu.H2O/c1-2-3(4)5;;/h2H2,1H3,(H,4,5);;1H2.
What are the key properties of copper;propanoic acid;hydrate?
copper;propanoic acid;hydrate has a molecular weight of 155.64 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;propanoic acid;hydrate is sourced from PubChem (CID 87996764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).