Cas no 2460501-48-6 (3-oxo-3,4-dihydropyrazine-2-carbonitrile-5,6-d2)
2460501-48-6 structure
Product Name:3-oxo-3,4-dihydropyrazine-2-carbonitrile-5,6-d2
CAS No:2460501-48-6
MF:C5H3N3O
MW:123.10914349556
CID:6825265
PubChem ID:172401663
Update Time:2025-02-28
3-oxo-3,4-dihydropyrazine-2-carbonitrile-5,6-d2 Chemical and Physical Properties
Names and Identifiers
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- 3-oxo-3,4-dihydropyrazine-2-carbonitrile-5,6-d2
- CS-23374
- 2460501-48-6
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- Inchi： 1S/C5H3N3O/c6-3-4-5(9)8-2-1-7-4/h1-2H,(H,8,9)/i1D,2D
- InChI Key： RDCUCJMNMLUNLB-QDNHWIQGSA-N
- SMILES： O=C1C(C#N)=NC([2H])=C([2H])N1
Computed Properties
- Exact Mass: 123.040165220Da
- Monoisotopic Mass: 123.040165220Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 242
- 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: -0.6
- Topological Polar Surface Area: 65.3?2
3-oxo-3,4-dihydropyrazine-2-carbonitrile-5,6-d2 Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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2. 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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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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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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