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

Technical Data

Patents

Computed Properties

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

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Carbonyl Compounds

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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