Cas no 4072-26-8 (Methanone, (2-hydroxy-5-methyl-3-nitrophenyl)phenyl-)
4072-26-8 structure
Product Name:Methanone, (2-hydroxy-5-methyl-3-nitrophenyl)phenyl-
CAS No:4072-26-8
MF:C14H11NO4
MW:257.241443872452
CID:1512738
PubChem ID:12429845
Update Time:2025-04-21
Methanone, (2-hydroxy-5-methyl-3-nitrophenyl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2-hydroxy-5-methyl-3-nitrophenyl)phenyl-
- (2-hydroxy-5-methyl-3-nitrophenyl)-phenylmethanone
- 4072-26-8
- (2-Hydroxy-5-methyl-3-nitrophenyl)(phenyl)methanone
- DTXSID80497919
-
- Inchi: 1S/C14H11NO4/c1-9-7-11(14(17)12(8-9)15(18)19)13(16)10-5-3-2-4-6-10/h2-8,17H,1H3
- InChI Key: DDBVQKDHZLCTEK-UHFFFAOYSA-N
- SMILES: OC1C(=CC(C)=CC=1C(C1C=CC=CC=1)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 257.06883
- Monoisotopic Mass: 257.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 346
- 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: 3.7
- Topological Polar Surface Area: 83.1?2
Experimental Properties
- PSA: 80.44
Methanone, (2-hydroxy-5-methyl-3-nitrophenyl)phenyl- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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