copper;propanedioate;hydrate

C3H4CuO5 — CID 155143676

IUPACcopper;propanedioate;hydrate
SMILESO.O=C([O-])CC(=O)[O-].[Cu+2]
InChIInChI=1S/C3H4O4.Cu.H2O/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;1H2/q;+2;/p-2
InChIKeyJDFLXSJYBIVNBQ-UHFFFAOYSA-L
MW183.61 g/mol
LogP-3.95
Rot. Bonds2

About copper;propanedioate;hydrate

copper;propanedioate;hydrate (PubChem CID 155143676) has the molecular formula C3H4CuO5 and a molecular weight of 183.61 g/mol. Its IUPAC name is copper;propanedioate;hydrate.

Molecular Properties

Compound Namecopper;propanedioate;hydrate
PubChem CID155143676
Molecular FormulaC3H4CuO5
Molecular Weight183.61 g/mol
Exact Mass182.94
IUPAC Namecopper;propanedioate;hydrate
SMILESO.O=C([O-])CC(=O)[O-].[Cu+2]
InChIInChI=1S/C3H4O4.Cu.H2O/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;1H2/q;+2;/p-2
InChIKeyJDFLXSJYBIVNBQ-UHFFFAOYSA-L
XLogP-3.95
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 5-3.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(praseodymium(3+));tris(propanedioate)
CID 159601608
bis(neodymium(3+));tris(propanedioate)
CID 159312291
hydron;propanedioate
CID 23511544
iron(2+);propanedioate
CID 14944028
azanium;iron(3+);bis(propanedioate)
CID 160868163
butanedioate;propanedioate
CID 18423363
magnesium;butane;propanedioate
CID 18427664
tetraazanium;ethanolate;propanedioate
CID 141132679
copper;diacetate;trihydrate
CID 161466720
copper;bis(2-aminoacetate);hydrate
CID 139067245
diazanium;2-methylidenebutanedioate;hydrate
CID 141442888
propanoate;hydrate
CID 19032208

Frequently Asked Questions

What is the IUPAC name of copper;propanedioate;hydrate?
The IUPAC name of copper;propanedioate;hydrate (CID 155143676) is copper;propanedioate;hydrate.
What is the SMILES notation for copper;propanedioate;hydrate?
The canonical SMILES for copper;propanedioate;hydrate is O.O=C([O-])CC(=O)[O-].[Cu+2].
What is the InChIKey of copper;propanedioate;hydrate?
The InChIKey is JDFLXSJYBIVNBQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4O4.Cu.H2O/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;1H2/q;+2;/p-2.
What are the key properties of copper;propanedioate;hydrate?
copper;propanedioate;hydrate has a molecular weight of 183.61 g/mol, XLogP of -3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;propanedioate;hydrate is sourced from PubChem (CID 155143676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).