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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

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1 API Suppliers
1 USDMF

Synopsis

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Chemistry

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Also known as: 507-02-8, Un1898, Jal3kv9i1o, Un 1898, Acetyliodid, Unii-jal3kv9i1o

Molecular Formula

C₂H₃IO

Molecular Weight

169.95 g/mol

InChI Key

LEKJTGQWLAUGQA-UHFFFAOYSA-N

FDA UNII

JAL3KV9I1O

1 2D Structure

Acetyl iodide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

acetyl iodide

2.1.2 InChI

InChI=1S/C2H3IO/c1-2(3)4/h1H3

2.1.3 InChI Key

LEKJTGQWLAUGQA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)I

2.2 Other Identifiers

2.2.1 UNII

JAL3KV9I1O

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 507-02-8

2. Un1898

3. Jal3kv9i1o

4. Un 1898

5. Acetyliodid

6. Unii-jal3kv9i1o

7. Acetic Acid Iodide

8. Einecs 208-062-2

9. Mfcd00039399

10. Acetyl Iodide [mi]

11. Schembl35384

12. Dtxsid0060141

13. Stl453667

14. Zinc85589948

15. Akos009031394

16. Un-1898

17. Acetyl Iodide [un1898] [corrosive]

18. Db-051826

19. A0095

20. Ft-0632249

21. D88212

22. Q421152

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₂H₃IO
Molecular Weight	169.95 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	169.92286 g/mol
Monoisotopic Mass	169.92286 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	33
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	1