Cas no 61243-78-5 (Ethanone, 2-(3,4-dimethoxyphenyl)-1-(6-hydroxy-1,3-benzodioxol-5-yl)-)
61243-78-5 structure
Product Name:Ethanone, 2-(3,4-dimethoxyphenyl)-1-(6-hydroxy-1,3-benzodioxol-5-yl)-
CAS No:61243-78-5
MF:C17H16O6
MW:316.305345535278
CID:487263
PubChem ID:71397850
Update Time:2025-04-19
Ethanone, 2-(3,4-dimethoxyphenyl)-1-(6-hydroxy-1,3-benzodioxol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-(3,4-dimethoxyphenyl)-1-(6-hydroxy-1,3-benzodioxol-5-yl)ethanone
- Ethanone, 2-(3,4-dimethoxyphenyl)-1-(6-hydroxy-1,3-benzodioxol-5-yl)-
- DTXSID20819313
- 2-(3,4-Dimethoxyphenyl)-1-(6-hydroxy-2H-1,3-benzodioxol-5-yl)ethan-1-one
- 61243-78-5
-
- Inchi： 1S/C17H16O6/c1-20-14-4-3-10(6-15(14)21-2)5-12(18)11-7-16-17(8-13(11)19)23-9-22-16/h3-4,6-8,19H,5,9H2,1-2H3
- InChI Key： GBHIIZJHKCGCQG-UHFFFAOYSA-N
- SMILES： O1COC2C=C(C(=CC1=2)C(CC1C=CC(=C(C=1)OC)OC)=O)O
Computed Properties
- Exact Mass: 316.09468
- Monoisotopic Mass: 316.09468823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 414
- 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: 3.2
- Topological Polar Surface Area: 74.2?2
Experimental Properties
- PSA: 74.22
Ethanone, 2-(3,4-dimethoxyphenyl)-1-(6-hydroxy-1,3-benzodioxol-5-yl)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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