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

Technical Data

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:	52.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4