2,2-Dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one - CAS 130473-38-0
Catalog: |
BB067166 |
Product Name: |
2,2-Dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one |
CAS: |
130473-38-0 |
Synonyms: |
2,2-Dimethyl-6-(2-oxopropyl)-2,4-dihydro-1,3-dioxin-4-one |
IUPAC Name: | 2,2-dimethyl-6-(2-oxopropyl)-1,3-dioxin-4-one |
Description: | 2,2-Dimethyl-6-(2-oxopropyl)-4H-1,3-dioxin-4-one, is a building block used in various chemical synthesis. It is used in the preparation of methylideneoxanone compounds and substituted derivatives as inhibitors of telomerase. |
Molecular Weight: | 184.19 |
Molecular Formula: | C9H12O4 |
Canonical SMILES: | CC(=O)CC1=CC(=O)OC(O1)(C)C |
InChI: | InChI=1S/C9H12O4/c1-6(10)4-7-5-8(11)13-9(2,3)12-7/h5H,4H2,1-3H3 |
InChI Key: | CDQMLNRLRZIRNW-UHFFFAOYSA-N |
References: | Scheidt, K. A., Betori, R. C. U.S. Pat. Appl. Publ. (2021), US 20210070725 A1 20210311. |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.07355886 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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