Cas no 58283-12-8 (Methanone, (4-hydroxy-3-nitrophenyl)-2-pyridinyl-)
58283-12-8 structure
Product Name:Methanone, (4-hydroxy-3-nitrophenyl)-2-pyridinyl-
CAS No:58283-12-8
MF:C12H8N2O4
MW:244.202922821045
CID:342623
PubChem ID:53778808
Update Time:2025-04-19
Methanone, (4-hydroxy-3-nitrophenyl)-2-pyridinyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (4-hydroxy-3-nitrophenyl)-2-pyridinyl-
- (4-hydroxy-3-nitrophenyl)-pyridin-2-ylmethanone
- DTXSID80706598
- SCHEMBL11880101
- 58283-12-8
- (4-Hydroxy-3-nitrophenyl)(pyridin-2-yl)methanone
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- Inchi： 1S/C12H8N2O4/c15-11-5-4-8(7-10(11)14(17)18)12(16)9-3-1-2-6-13-9/h1-7,15H
- InChI Key： DTTNPBNMFOIFKU-UHFFFAOYSA-N
- SMILES： OC1C=CC(C(C2C=CC=CN=2)=O)=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 244.04844
- Monoisotopic Mass: 244.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 329
- 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: 2.6
- Topological Polar Surface Area: 96?2
Experimental Properties
- PSA: 93.33
Methanone, (4-hydroxy-3-nitrophenyl)-2-pyridinyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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