Cas no 17580-65-3 (Benzaldehyde, 2-hydroxy-4-nitro-, oxime)
17580-65-3 structure
Product Name:Benzaldehyde, 2-hydroxy-4-nitro-, oxime
CAS No:17580-65-3
MF:C7H6N2O4
MW:182.133541584015
CID:1362591
Update Time:2024-08-17
Benzaldehyde, 2-hydroxy-4-nitro-, oxime Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 2-hydroxy-4-nitro-, oxime
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- Inchi： 1S/C7H6N2O4/c10-7-3-6(9(12)13)2-1-5(7)4-8-11/h1-4,10-11H
- InChI Key： MFYWMTWCSITFQN-UHFFFAOYSA-N
- SMILES： C(=NO)C1=CC=C([N+]([O-])=O)C=C1O
Computed Properties
- Exact Mass: 182.033
- Monoisotopic Mass: 182.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 335
- 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
- Topological Polar Surface Area: 95.2A^2
Experimental Properties
- Density: 1.50±0.1 g/cm3(Predicted)
- Melting Point: 190-191 °C
- Boiling Point: 350.8±37.0 °C(Predicted)
- pka: 7.76±0.19(Predicted)
Benzaldehyde, 2-hydroxy-4-nitro-, oxime Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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3. 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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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