Cas no 62097-81-8 (2-Propanone, 1-(4-ethyl-2,5-dimethoxyphenyl)-)
62097-81-8 structure
Product Name:2-Propanone, 1-(4-ethyl-2,5-dimethoxyphenyl)-
CAS No:62097-81-8
MF:C13H18O3
MW:222.280224323273
CID:458215
PubChem ID:21488975
Update Time:2025-04-19
2-Propanone, 1-(4-ethyl-2,5-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1-(4-ethyl-2,5-dimethoxyphenyl)-
- 1-(4-ethyl-2,5-dimethoxyphenyl)propan-2-one
- 62097-81-8
- SCHEMBL11812515
- DTXSID20614709
-
- Inchi： 1S/C13H18O3/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15-3/h7-8H,5-6H2,1-4H3
- InChI Key： PPXFEKPBFCSYJN-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(CC(C)=O)C(=CC=1CC)OC
Computed Properties
- Exact Mass: 222.12564
- Monoisotopic Mass: 222.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 227
- 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: 2.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2-Propanone, 1-(4-ethyl-2,5-dimethoxyphenyl)- Related Literature
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
62097-81-8 (2-Propanone, 1-(4-ethyl-2,5-dimethoxyphenyl)-) Related Products
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