Cas no 116296-35-6 (Ethanone,1-(3-chloro-4-hydroxy-5-methoxyphenyl)-)
116296-35-6 structure
Product Name:Ethanone,1-(3-chloro-4-hydroxy-5-methoxyphenyl)-
CAS No:116296-35-6
MF:C9H9ClO3
MW:200.618962049484
CID:167800
PubChem ID:189391
Update Time:2025-04-19
Ethanone,1-(3-chloro-4-hydroxy-5-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(3-chloro-4-hydroxy-5-methoxyphenyl)-
- 116296-35-6
- AKOS022945407
- 1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethanone
- DTXSID10151335
-
- Inchi： 1S/C9H9ClO3/c1-5(11)6-3-7(10)9(12)8(4-6)13-2/h3-4,12H,1-2H3
- InChI Key： UWYLEXOXSSAQDU-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=C(C(C)=O)C=1)OC)O
Computed Properties
- Exact Mass: 200.02407
- Monoisotopic Mass: 200.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 195
- 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: 1.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.291
- Boiling Point: 332.8°Cat760mmHg
- Flash Point: 155°C
- Refractive Index: 1.553
- PSA: 46.53
Ethanone,1-(3-chloro-4-hydroxy-5-methoxyphenyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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