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Cyclohexadiene iron tricarbonyl

Catalog Number
ACM12152726-1
CAS
12152-72-6
IUPAC Name
Carbon monoxide;cyclohexa-1,3-diene;iron
Synonyms
Tricarbonylcyclohexadiene iron
Molecular Weight
220
Product Information
Canonical SMILES
[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CC=CC=C1.[Fe]
InChI
InChI=1S/C6H8.3CO.Fe/c1-2-4-6-5-3-1;3*1-2;/h1-4H,5-6H2;
InChI Key
OVNCEUCQDGRASI-UHFFFAOYSA-N
Melting Point
8 °C
Purity
95%+
Appearance
Yellow to orange liquid
Storage
2-8 °C
Complexity
76
Covalently-Bonded Unit Count
5
Exact Mass
219.98228
Heavy Atom Count
13
Monoisotopic Mass
219.98228
Topological Polar Surface Area
3 Ų
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