3-Fluoro-1,5-dioxaspiro[5.5]undec-3-en-2-one - CAS 134878-53-8
Catalog: |
BB065227 |
Product Name: |
3-Fluoro-1,5-dioxaspiro[5.5]undec-3-en-2-one |
CAS: |
134878-53-8 |
Synonyms: |
3-Fluoro-1,5-dioxaspiro[5.5]undec-3-en-2-one; 3-fluoro-1,5-dioxaspiro[5.5]undec-2-en-4-one |
IUPAC Name: | 3-fluoro-1,5-dioxaspiro[5.5]undec-2-en-4-one |
Description: | 3-Fluoro-1,5-dioxaspiro[5.5]undec-3-en-2-one is used in the preparation of 5-fluoro-1,3-dioxin-4-ones and their intermediates. |
Molecular Weight: | 186.18 |
Molecular Formula: | C9H11FO3 |
Canonical SMILES: | C1CCC2(CC1)OC=C(C(=O)O2)F |
InChI: | InChI=1S/C9H11FO3/c10-7-6-12-9(13-8(7)11)4-2-1-3-5-9/h6H,1-5H2 |
InChI Key: | NIHUXGYTSJGBSG-UHFFFAOYSA-N |
Melting Point: | 62-65ºC |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Off-White Solid |
Storage: | -20°C |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.06922237 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.06922237 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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