Cas no 72570-89-9 ((e)-1-(3,4-dimethoxyphenyl)non-1-en-3-one)
72570-89-9 structure
Product Name:(e)-1-(3,4-dimethoxyphenyl)non-1-en-3-one
CAS No:72570-89-9
MF:C17H24O3
MW:276.370665550232
CID:977339
PubChem ID:5993746
Update Time:2025-04-19
(e)-1-(3,4-dimethoxyphenyl)non-1-en-3-one Chemical and Physical Properties
Names and Identifiers
-
- (e)-1-(3,4-dimethoxyphenyl)non-1-en-3-one
- 72570-89-9
- NSC284619
- DTXSID80421698
- NSC-284619
-
- Inchi： 1S/C17H24O3/c1-4-5-6-7-8-15(18)11-9-14-10-12-16(19-2)17(13-14)20-3/h9-13H,4-8H2,1-3H3/b11-9+
- InChI Key： GQYSDUVYEZEGDG-PKNBQFBNSA-N
- SMILES： O=C(/C=C/C1C=CC(=C(C=1)OC)OC)CCCCCC
Computed Properties
- Exact Mass: 276.17262
- Monoisotopic Mass: 276.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- Complexity: 299
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
(e)-1-(3,4-dimethoxyphenyl)non-1-en-3-one Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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