Basic information
- CAS
33248-78-1- Standard SMILES
COC(=O)[CH-][CH-]C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]- InChIKey
YULZJIAXNHJFFE-UHFFFAOYSA-N- Molecular formula
- C10H8FeO8
- Average molar mass
- 312.01 g/mol
- Monoisotopic mass
- 311.956853
Names & identifiers
- Preferred name
- Iron, tetracarbonyl[(2,3-eta)-dimethyl-2-butenedioate
- IUPAC
- carbon monoxide;dimethyl butanedioate;iron(2+)
Names & synonyms
Iron, tetracarbonyl[(2,3-.eta.)-dimethyl-2-butenedioateBITDAGYZFCHFJO-UHFFFAOYSA-N33248-78-1Iron, tetracarbonyl-fumaric acid, dimethyl esterIron, tetracarbonyl((2,3-eta2)-dimethyl-2-butenedioateIron, tetracarbonyl[(2,3-.eta.2)-dimethyl-2-butenedioateIron, tetracarbonyl[(2,3-.eta.<2>)-dimethyl-2-butenedioate
Database identifiers
- CAS
33248-78-1- PubChem CID
- 520609
Properties
Computed structural properties
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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