Cas no 77092-12-7 (4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-)
77092-12-7 structure
Product Name:4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-
CAS No:77092-12-7
MF:C12H12O3
MW:204.221883773804
CID:536791
PubChem ID:2728753
Update Time:2025-04-19
4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl-
- 2,2-dimethyl-6-phenyl-1,3-dioxin-4-one
- SCHEMBL9428494
- 77092-12-7
- AKOS001662027
- MFCD00220127
- 2,2-Dimethyl-6-phenyl-4H-1,3-dioxin-4-one
- 6-phenyl-2,2-dimethyl-1,3-dioxin-4-one
- DTXSID10369539
-
- Inchi： 1S/C12H12O3/c1-12(2)14-10(8-11(13)15-12)9-6-4-3-5-7-9/h3-8H,1-2H3
- InChI Key： XVDIUPDVIULPMF-UHFFFAOYSA-N
- SMILES： O1C(=CC(=O)OC1(C)C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 204.07866
- Monoisotopic Mass: 204.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 285
- 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: 2.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-phenyl- Related Literature
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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