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 |
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: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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