Cas no 71222-21-4 (Benzeneacetaldehyde,4-hydroxy-3-nitro-a-oxo-)
71222-21-4 structure
Product Name:Benzeneacetaldehyde,4-hydroxy-3-nitro-a-oxo-
CAS No:71222-21-4
MF:C8H5NO5
MW:195.129002332687
CID:572164
PubChem ID:130550
Update Time:2025-04-19
Benzeneacetaldehyde,4-hydroxy-3-nitro-a-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetaldehyde,4-hydroxy-3-nitro-a-oxo-
- 2-(4-hydroxy-3-nitrophenyl)-2-oxoacetaldehyde
- 4-hydroxy-3-nitrophenylglyoxal
- (4-Hydroxy-3-nitrophenyl)(oxo)acetaldehyde
- benzeneacetaldehyde, 4-hydroxy-3-nitro-alpha-oxo-
- DTXSID10221406
- 4-Hydroxy-3-npg
- 71222-21-4
-
- Inchi： 1S/C8H5NO5/c10-4-8(12)5-1-2-7(11)6(3-5)9(13)14/h1-4,11H
- InChI Key： SWDLPMUNWZCZIW-UHFFFAOYSA-N
- SMILES： OC1C=CC(C(C=O)=O)=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 195.01675
- Monoisotopic Mass: 195.017
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 259
- 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
- Surface Charge: 0
- Tautomer Count: 6
- XLogP3: nothing
- Topological Polar Surface Area: 100?2
Experimental Properties
- Density: 1.517
- Boiling Point: 335.3°C at 760 mmHg
- Flash Point: 150.7°C
- Refractive Index: 1.615
- PSA: 97.51
Benzeneacetaldehyde,4-hydroxy-3-nitro-a-oxo- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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