7-Methoxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one - CAS 888723-96-4

Catalog:	BB060183
Product Name:	7-Methoxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one
CAS:	888723-96-4
Synonyms:	7-Methoxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one; 7-methoxy-2,2-dimethyl-1,3-benzodioxin-4-one; 7-Methoxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one

Technical Data

IUPAC Name:	7-methoxy-2,2-dimethyl-1,3-benzodioxin-4-one
Description:	7-Methoxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one is used in the synthesis of the precursor compound for Altenuene (A575740), a toxin isolated from the fungus Alternaria tenuis.
Molecular Weight:	208.21
Molecular Formula:	C11H12O4
Canonical SMILES:	CC1(OC2=C(C=CC(=C2)OC)C(=O)O1)C
InChI:	InChI=1S/C11H12O4/c1-11(2)14-9-6-7(13-3)4-5-8(9)10(12)15-11/h4-6H,1-3H3
InChI Key:	NUSOXCFZGFESQF-UHFFFAOYSA-N
Solubility:	Chloroform, Ethyl Acetate
Appearance:	White Solid
References:	Altemoeller, M., et al. Europ. J. Org. Chem., 7, 1678 (2006); Ooguri, A., et al. J. Am. Chem. Soc., 131, 13194 (2009).

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.07355886
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.07355886
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2