Cas no 288401-28-5 (Ethanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]-)
![Ethanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]- structure](https://ossimg.kuujia.com/scimg/288500/288401-28-5x500.png)
288401-28-5 structure
Product Name:Ethanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]-
CAS No:288401-28-5
MF:C11H13NO4
MW:223.225223302841
CID:248921
PubChem ID:53422058
Update Time:2025-04-19
Ethanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]-
- 1-(2-hydroxy-3-nitro-5-propan-2-ylphenyl)ethanone
- 2'-HYDROXY-5'-ISOPROPYL-3'-NITROACETOPHENONE
- 1-(2-HYDROXY-5-ISOPROPYL-3-NITROPHENYL)ETHANONE
- DTXSID10697940
- 1-[2-Hydroxy-3-nitro-5-(propan-2-yl)phenyl]ethan-1-one
- 288401-28-5
-
- Inchi： 1S/C11H13NO4/c1-6(2)8-4-9(7(3)13)11(14)10(5-8)12(15)16/h4-6,14H,1-3H3
- InChI Key： KXMQCCSXWFSJPC-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1C(C)=O)C(C)C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 223.08400
- Monoisotopic Mass: 223.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 284
- 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: 2.8
- Topological Polar Surface Area: 83.1?2
Experimental Properties
- PSA: 83.12000
- LogP: 3.14960
Ethanone,1-[2-hydroxy-5-(1-methylethyl)-3-nitrophenyl]- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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