Basic information
- CAS
1316-97-8- Standard SMILES
CCc1cc[cH-]c1C(C)=O.[Fe+2].c1cc[cH-]c1- InChIKey
PKMBLFDABBJSJO-UHFFFAOYSA-N- Molecular formula
- C14H16FeO
- Average molar mass
- 256.12 g/mol
- Monoisotopic mass
- 256.055051
Names & identifiers
- Preferred name
- 1-Acetyl-2-ethylferrocene
- IUPAC
- cyclopenta-1,3-diene;1-(2-ethylcyclopenta-1,3-dien-1-yl)ethanone;iron(2+)
Names & synonyms
1-Acetyl-2-ethylferroceneEINECS 215-261-8
Database identifiers
- CAS
1316-97-8- PubChem CID
- 102602
- EC Number
- 215-261-8
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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