Cas no 69027-37-8 (Ethanone, 1-(2-hydroxy-3,5-dinitrophenyl)-)
69027-37-8 structure
Product Name:Ethanone, 1-(2-hydroxy-3,5-dinitrophenyl)-
CAS No:69027-37-8
MF:C8H6N2O6
MW:226.143042087555
CID:392345
PubChem ID:12453675
Update Time:2025-04-19
Ethanone, 1-(2-hydroxy-3,5-dinitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2-hydroxy-3,5-dinitrophenyl)-
- 1-(2-hydroxy-3,5-dinitrophenyl)ethanone
- 69027-37-8
- AKOS005144958
- 1-(2-Hydroxy-3,5-dinitrophenyl)ethan-1-one
- DTXSID30498916
- SCHEMBL11067720
-
- Inchi： 1S/C8H6N2O6/c1-4(11)6-2-5(9(13)14)3-7(8(6)12)10(15)16/h2-3,12H,1H3
- InChI Key： ZLYZQGCSKGCVAL-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1C(C)=O)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 226.02258592g/mol
- Monoisotopic Mass: 226.02258592g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 320
- 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: 1.5
- Topological Polar Surface Area: 129?2
Ethanone, 1-(2-hydroxy-3,5-dinitrophenyl)- Related Literature
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1. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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