Cas no 552880-79-2 (4-Ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde)
552880-79-2 structure
Product Name:4-Ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde
CAS No:552880-79-2
MF:C9H12N2O4
MW:212.202582359314
CID:1021733
Update Time:2023-08-03
4-Ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarboxaldehyde,4-ethoxy-2,6-dimethoxy-(9CI)
- 4-ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde
- 5-pyrimidinecarbaldehyde,4-ethoxy-2,6-dimethoxy-
- 4-Ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde
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- Inchi: 1S/C9H12N2O4/c1-4-15-8-6(5-12)7(13-2)10-9(11-8)14-3/h5H,4H2,1-3H3
- InChI Key: MAGOJILRWPRBCB-UHFFFAOYSA-N
- SMILES: O(CC)C1C(C=O)=C(N=C(N=1)OC)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 203
- Topological Polar Surface Area: 70.5
4-Ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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
552880-79-2 (4-Ethoxy-2,6-dimethoxypyrimidine-5-carbaldehyde) Related Products
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