Sodium 1,1,1-trifluoro-4-(furan-2-yl)-4-oxobut-2-en-2-olate - CAS 1173466-55-1
Catalog: |
BB049062 |
Product Name: |
Sodium 1,1,1-trifluoro-4-(furan-2-yl)-4-oxobut-2-en-2-olate |
CAS: |
1173466-55-1 |
Synonyms: |
Sodium 1,1,1-trifluoro-4-furan-2-yl-4-oxo-but-2-en-2-olate; Sodium 1,1,1-trifluoro-4-(2-furyl)-4-oxo-2-buten-2-olate; 2-Buten-1-one, 4,4,4-trifluoro-1-(2-furanyl)-3-hydroxy-, sodium salt (1:1) |
Related CAS: | 66929-53-1 (free aicd)
|
IUPAC Name: | sodium;1,1,1-trifluoro-4-(furan-2-yl)-4-oxobut-2-en-2-olate |
Description: | Sodium 1,1,1-trifluoro-4-(furan-2-yl)-4-oxobut-2-en-2-olate (CAS# 1173466-55-1 ) is a useful research chemical. |
Molecular Weight: | 228.10 |
Molecular Formula: | C8H4F3NaO3 |
Canonical SMILES: | C1=COC(=C1)C(=O)C=C(C(F)(F)F)[O-].[Na+] |
InChI: | InChI=1S/C8H5F3O3.Na/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-4,13H;/q;+1/p-1 |
InChI Key: | YPWUQPRFGIEYOL-UHFFFAOYSA-M |
Purity: | ≥ 95 % |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 228.00102275 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.00102275 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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