Cas no 51379-76-1 (1-Propanone, 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-)
51379-76-1 structure
Product Name:1-Propanone, 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-
CAS No:51379-76-1
MF:C12H16O5
MW:240.252444267273
CID:362385
PubChem ID:902170
Update Time:2025-04-19
1-Propanone, 1-(2-hydroxy-3,4,6-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-
- 1-(2-hydroxy-3,4,6-trimethoxyphenyl)propan-1-one
- DTXSID10358564
- AK-087/42718393
- 51379-76-1
- 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-1-propanone
-
- Inchi： 1S/C12H16O5/c1-5-7(13)10-8(15-2)6-9(16-3)12(17-4)11(10)14/h6,14H,5H2,1-4H3
- InChI Key： WEGIFAYABXLPGL-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=C(C=1C(CC)=O)O)OC)OC
Computed Properties
- Exact Mass: 240.09978
- Monoisotopic Mass: 240.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 255
- 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: 2.2
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
1-Propanone, 1-(2-hydroxy-3,4,6-trimethoxyphenyl)- Related Literature
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
51379-76-1 (1-Propanone, 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-) Related Products
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