2-Ethyl-2,3-dihydro-5-acetylbenzofuran - CAS 58741-14-3
Catalog: |
BB065757 |
Product Name: |
2-Ethyl-2,3-dihydro-5-acetylbenzofuran |
CAS: |
58741-14-3 |
Synonyms: |
1-(2-Ethyl-2,3-dihydro-5-benzofuranyl)ethanone; 5-Acetyl-2-ethyl-2,3-dihydrobenzofuran |
IUPAC Name: | 1-(2-ethyl-2,3-dihydro-1-benzofuran-5-yl)ethanone |
Description: | Intermediate in the preparation of arylalkanoic acids, as anti-inflammatory drugs. |
Molecular Weight: | 190.24 |
Molecular Formula: | C12H14O2 |
Canonical SMILES: | CCC1CC2=C(O1)C=CC(=C2)C(=O)C |
InChI: | InChI=1S/C12H14O2/c1-3-11-7-10-6-9(8(2)13)4-5-12(10)14-11/h4-6,11H,3,7H2,1-2H3 |
InChI Key: | XLBLRLIFRIMESC-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ehtyl Acetate, Methanol |
Appearance: | Colorless Oil |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.099379685 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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