Cas no 87428-53-3 (Ethanone, 2-hydroxy-1-(3,4,5-trimethoxyphenyl)-)
87428-53-3 structure
Product Name:Ethanone, 2-hydroxy-1-(3,4,5-trimethoxyphenyl)-
CAS No:87428-53-3
MF:C11H14O5
MW:226.225863933563
CID:656357
PubChem ID:12965057
Update Time:2025-04-19
Ethanone, 2-hydroxy-1-(3,4,5-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 2-hydroxy-1-(3,4,5-trimethoxyphenyl)-
- 2-hydroxy-1-(3,4,5-trimethoxyphenyl)ethanone
- 2-Hydroxy-1-(3,4,5-trimethoxyphenyl)ethan-1-one
- 87428-53-3
- SCHEMBL10483795
- DTXSID70514144
-
- Inchi： 1S/C11H14O5/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5,12H,6H2,1-3H3
- InChI Key： POXBLWNPHHZUJF-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC(C(CO)=O)=CC=1OC)OC
Computed Properties
- Exact Mass: 226.08412354g/mol
- Monoisotopic Mass: 226.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 216
- 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: 0.9
- Topological Polar Surface Area: 65?2
Ethanone, 2-hydroxy-1-(3,4,5-trimethoxyphenyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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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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