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7 APIs, 2 FDF Dossiers

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7 APIs
2 FDF Dossiers

Synopsis

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Chemistry

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Also known as: Iron(iii) acrylate, 55488-18-1, Iron acrylate, Iron(3+);prop-2-enoate, 2-propenoic acid, iron(3+) salt, 15773-23-6

Molecular Formula

C₉H₉FeO₆

Molecular Weight

269.01 g/mol

InChI Key

WNWBIDPJHFYYLM-UHFFFAOYSA-K

1 2D Structure

Feracryl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

iron(3+);prop-2-enoate

2.1.2 InChI

InChI=1S/3C3H4O2.Fe/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);/q;;;+3/p-3

2.1.3 InChI Key

WNWBIDPJHFYYLM-UHFFFAOYSA-K

2.1.4 Canonical SMILES

C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Fe+3]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Ferakril

2. Ferakryl

2.2.2 Depositor-Supplied Synonyms

1. Iron(iii) Acrylate

2. 55488-18-1

3. Iron Acrylate

4. Iron(3+);prop-2-enoate

5. 2-propenoic Acid, Iron(3+) Salt

6. 15773-23-6

7. 2-propenoic Acid, Iron(3+) Salt (3:1)

8. Iron Triacrylate

9. Iron(3+) Acrylate

10. Mfcd00080380

11. Einecs 239-865-6

12. Einecs 259-667-3

13. Triacrylic Acid Iron(iii) Salt

14. Dtxsid00890887

15. Akos025295463

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₉FeO₆
Molecular Weight	269.01 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	268.974849 g/mol
Monoisotopic Mass	268.974849 g/mol
Topological Polar Surface Area	120 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	50.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4