Cas no 87974-54-7 (Methanone, (2-hydroxy-5-nitrophenyl)phenyl-, oxime, (E)-)
87974-54-7 structure
Product Name:Methanone, (2-hydroxy-5-nitrophenyl)phenyl-, oxime, (E)-
CAS No:87974-54-7
MF:C13H10N2O4
MW:258.229503154755
CID:649837
PubChem ID:137072647
Update Time:2025-04-19
Methanone, (2-hydroxy-5-nitrophenyl)phenyl-, oxime, (E)- Chemical and Physical Properties
Names and Identifiers
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- Methanone, (2-hydroxy-5-nitrophenyl)phenyl-, oxime, (E)-
- 6-[(hydroxyamino)-phenylmethylidene]-4-nitrocyclohexa-2,4-dien-1-one
- DTXSID20831257
- 87974-54-7
- 6-[(Hydroxyamino)(phenyl)methylidene]-4-nitrocyclohexa-2,4-dien-1-one
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- Inchi： 1S/C13H10N2O4/c16-12-7-6-10(15(18)19)8-11(12)13(14-17)9-4-2-1-3-5-9/h1-8,16-17H/b14-13+
- InChI Key： XYOMZQYLYXHQJT-BUHFOSPRSA-N
- SMILES： OC1=CC=C(C=C1/C(/C1C=CC=CC=1)=N/O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 258.06405680g/mol
- Monoisotopic Mass: 258.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 347
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 98.6?2
Methanone, (2-hydroxy-5-nitrophenyl)phenyl-, oxime, (E)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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