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Chemistry

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Also known as: U96pkg90jq, Ccris 3195, Hsdb 2878, Einecs 203-039-3, Unii-u96pkg90jq, Ai3-23119
Molecular Formula
C10H10Fe
Molecular Weight
186.03  g/mol
InChI Key
KTWOOEGAPBSYNW-UHFFFAOYSA-N
FDA UNII
U96PKG90JQ

Ferrocene
1 2D Structure

Ferrocene

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclopenta-1,3-diene;iron(2+)
2.1.2 InChI
InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
2.1.3 InChI Key
KTWOOEGAPBSYNW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
2.2 Other Identifiers
2.2.1 UNII
U96PKG90JQ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Dicyclopentadienyliron

2. Ferrocene

2.3.2 Depositor-Supplied Synonyms

1. U96pkg90jq

2. Ccris 3195

3. Hsdb 2878

4. Einecs 203-039-3

5. Unii-u96pkg90jq

6. Ai3-23119

7. Ferrocene [mi]

8. Ferrocene [hsdb]

9. Dsstox_cid_5326

10. Ec 203-039-3

11. Dsstox_rid_77749

12. Dsstox_gsid_25326

13. Bis( Cyclopentadienyl)eisen(ii)

14. Tox21_202514

15. Ncgc00091936-01

16. Ncgc00260063-01

17. Cas-102-54-5

18. Q211972

19. Bis(cyclopentadienyl)iron, Di(cyclopentadienyl)iron

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 186.03 g/mol
Molecular Formula C10H10Fe
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass186.013186 g/mol
Monoisotopic Mass186.013186 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity11.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

API Reference Price

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22-Jan-2021
09-Oct-2024
KGS
overview
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Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
Number of Transactions

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