Levulinic acid, nickel(II) salt
Basic information
- CAS
69727-29-3- Standard SMILES
CC(=O)CCC(=O)O.[Ni]- InChIKey
DLJHXFYXHRJDBE-UHFFFAOYSA-N- Molecular formula
- C5H8NiO3
- Average molar mass
- 174.81 g/mol
- Monoisotopic mass
- 173.982686
Names & identifiers
- Preferred name
- Levulinic acid, nickel(II) salt
- IUPAC
- nickel;4-oxopentanoic acid
Names & synonyms
69727-29-3Levulinic acid, nickel(II) saltSCHEMBL10577943DTXSID50712681NSC4089364-Oxopentanoic acid--nickel (1/1)NSC-408936
Database identifiers
- CAS
69727-29-3- PubChem CID
- 54599231
- DTXSID
DTXSID50712681
Properties
Computed structural properties
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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