Cas no 67817-95-2 (Ethyl 3-amino-2-(3,6-dioxo-2,3-dihydropyridazin-1(6H)-yl)but-2-enoate)
67817-95-2 structure
Product Name:Ethyl 3-amino-2-(3,6-dioxo-2,3-dihydropyridazin-1(6H)-yl)but-2-enoate
CAS No:67817-95-2
MF:C10H13N3O4
MW:239.227922201157
CID:967174
PubChem ID:6512609
Update Time:2025-04-19
Ethyl 3-amino-2-(3,6-dioxo-2,3-dihydropyridazin-1(6H)-yl)but-2-enoate Chemical and Physical Properties
Names and Identifiers
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- 67817-95-2
- Ethyl 3-amino-2-(3,6-dioxo-2,3-dihydropyridazin-1(6H)-yl)but-2-enoate
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- Inchi： 1S/C10H13N3O4/c1-3-17-10(16)9(6(2)11)13-8(15)5-4-7(14)12-13/h4-5H,3,11H2,1-2H3,(H,12,14)/b9-6+
- InChI Key： FOHYTEUULYUQBV-RMKNXTFCSA-N
- SMILES： O(CC)C(/C(=C(/C)\N)/N1C(C=CC(N1)=O)=O)=O
Computed Properties
- Exact Mass: 239.09060590g/mol
- Monoisotopic Mass: 239.09060590g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 425
- 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: 0
- Topological Polar Surface Area: 102?2
Ethyl 3-amino-2-(3,6-dioxo-2,3-dihydropyridazin-1(6H)-yl)but-2-enoate Related Literature
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1. 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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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