Cas no 130473-32-4 (6-Acetyl-2,2-dimethyl-2H,4H-1,3-dioxin-4-one)
130473-32-4 structure
Product Name:6-Acetyl-2,2-dimethyl-2H,4H-1,3-dioxin-4-one
CAS No:130473-32-4
MF:C8H10O4
MW:170.162602901459
CID:2769936
PubChem ID:14638415
Update Time:2025-04-21
6-Acetyl-2,2-dimethyl-2H,4H-1,3-dioxin-4-one Chemical and Physical Properties
Names and Identifiers
-
- DTXSID60562437
- 6-Acetyl-2,2-dimethyl-2H,4H-1,3-dioxin-4-one
- 130473-32-4
-
- Inchi： 1S/C8H10O4/c1-5(9)6-4-7(10)12-8(2,3)11-6/h4H,1-3H3
- InChI Key： AEDNJAZCQCXWHR-UHFFFAOYSA-N
- SMILES： O1C(C(C)=O)=CC(=O)OC1(C)C
Computed Properties
- Exact Mass: 170.05790880g/mol
- Monoisotopic Mass: 170.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 262
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 52.6?2
6-Acetyl-2,2-dimethyl-2H,4H-1,3-dioxin-4-one Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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