Cas no 10445-51-9 (2-ACETYL-3,5-DIMETHYL BENZOFURAN)
10445-51-9 structure
Product Name:2-ACETYL-3,5-DIMETHYL BENZOFURAN
CAS No:10445-51-9
MF:C12H12O2
MW:188.222483634949
CID:2101430
PubChem ID:15841993
Update Time:2025-04-21
2-ACETYL-3,5-DIMETHYL BENZOFURAN Chemical and Physical Properties
Names and Identifiers
-
- 2-ACETYL-3,5-DIMETHYL BENZOFURAN
- AQ-358/43417409
- 10445-51-9
- 1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
- 1-(3,5-Dimethylbenzofuran-2-yl)ethanone
- SCHEMBL7032769
-
- MDL： MFCD07778571
- Inchi： 1S/C12H12O2/c1-7-4-5-11-10(6-7)8(2)12(14-11)9(3)13/h4-6H,1-3H3
- InChI Key： WUJLHEYDSHCIIR-UHFFFAOYSA-N
- SMILES： O1C(C(C)=O)=C(C)C2C=C(C)C=CC1=2
Computed Properties
- Exact Mass: 188.083729621Da
- Monoisotopic Mass: 188.083729621Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 236
- 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: 3.1
- Topological Polar Surface Area: 30.2?2
2-ACETYL-3,5-DIMETHYL BENZOFURAN Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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