Cas no 552880-86-1 (2-Ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde)
552880-86-1 structure
Product Name:2-Ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde
CAS No:552880-86-1
MF:C9H12N2O4
MW:212.202582359314
CID:1021731
Update Time:2023-08-03
2-Ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarboxaldehyde,2-ethoxy-4,6-dimethoxy-(9CI)
- 2-ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde
- 5-pyrimidinecarbaldehyde,2-ethoxy-4,6-dimethoxy-
- 2-Ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde
-
- Inchi： 1S/C9H12N2O4/c1-4-15-9-10-7(13-2)6(5-12)8(11-9)14-3/h5H,4H2,1-3H3
- InChI Key： QIZSHGDPFHFLFF-UHFFFAOYSA-N
- SMILES： O(CC)C1=NC(=C(C=O)C(=N1)OC)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 189
- Topological Polar Surface Area: 70.5
2-Ethoxy-4,6-dimethoxypyrimidine-5-carbaldehyde Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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