Cas no 72651-97-9 (1,3-Dioxane-4,6-dione,5-(2-furanylmethyl)-2,2-dimethyl-)
72651-97-9 structure
Product Name:1,3-Dioxane-4,6-dione,5-(2-furanylmethyl)-2,2-dimethyl-
CAS No:72651-97-9
MF:C11H12O5
MW:224.209983825684
CID:573566
PubChem ID:329856
Update Time:2025-04-19
1,3-Dioxane-4,6-dione,5-(2-furanylmethyl)-2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4,6-dione,5-(2-furanylmethyl)-2,2-dimethyl-
- 5-(2-furylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
- 5-(furan-2-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
- 5-(furan-2-ylmethyl)-2,2-dimethyl[1,3]dioxane-4,6-dione
- AC1L75ND
- AG-G-86227
- CBDivE_000905
- CTK5D6616
- NSC314866
- DTXSID40317346
- 72651-97-9
- NSC-314866
- 5-[(Furan-2-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
- AKOS024411861
-
- Inchi： 1S/C11H12O5/c1-11(2)15-9(12)8(10(13)16-11)6-7-4-3-5-14-7/h3-5,8H,6H2,1-2H3
- InChI Key： ODIYMZNWNQSSBX-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)OC1(C)C)CC1=CC=CO1)=O
Computed Properties
- Exact Mass: 224.06846
- Monoisotopic Mass: 224.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 290
- 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: 1.7
- Topological Polar Surface Area: 65.7?2
Experimental Properties
- Density: 1.238
- Boiling Point: 429.3°C at 760 mmHg
- Flash Point: 213.4°C
- Refractive Index: 1.493
- PSA: 65.74
- LogP: 1.27440
1,3-Dioxane-4,6-dione,5-(2-furanylmethyl)-2,2-dimethyl- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
72651-97-9 (1,3-Dioxane-4,6-dione,5-(2-furanylmethyl)-2,2-dimethyl-) Related Products
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