5-Methyl-6-acetyl-1,4-benzodioxane - CAS 69464-53-5
Catalog: |
BB033839 |
Product Name: |
5-Methyl-6-acetyl-1,4-benzodioxane |
CAS: |
69464-53-5 |
Synonyms: |
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone; 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone |
IUPAC Name: | 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone |
Description: | 5-Methyl-6-acetyl-1,4-benzodioxane (CAS# 69464-53-5 ) is a useful research chemical. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | CC1=C(C=CC2=C1OCCO2)C(=O)C |
InChI: | InChI=1S/C11H12O3/c1-7-9(8(2)12)3-4-10-11(7)14-6-5-13-10/h3-4H,5-6H2,1-2H3 |
InChI Key: | RAWMFVYQVVJHBP-UHFFFAOYSA-N |
LogP: | 1.96880 |
Publication Number | Title | Priority Date |
JP-H10316622-A | Process for producing 5-methyl-1,4-benzodioxane-6-carboxylic acids and novel intermediates thereof | 19970516 |
AU-690645-B2 | Aromatic 2-amino-imidazole derivatives as alpha-2A adrenoceptor agonists | 19940124 |
CA-2181909-C | Aromatic 2-amino-imidazole derivatives as alpha-2a adrenoceptor agonists | 19940124 |
EP-0741709-A1 | Aromatic 2-amino-imidazole derivatives as alpha-2a adrenoceptor agonists | 19940124 |
EP-0741709-B1 | Aromatic 2-amino-imidazole derivatives as alpha-2a adrenoceptor agonists | 19940124 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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