Cas no 62359-65-3 (5-Pyrimidinecarboxylic acid, 4-formyl-2-methyl-, ethyl ester)
62359-65-3 structure
Product Name:5-Pyrimidinecarboxylic acid, 4-formyl-2-methyl-, ethyl ester
CAS No:62359-65-3
MF:C9H10N2O3
MW:194.187302112579
CID:447995
PubChem ID:12312046
Update Time:2025-04-19
5-Pyrimidinecarboxylic acid, 4-formyl-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarboxylic acid, 4-formyl-2-methyl-, ethyl ester
- ethyl 4-formyl-2-methylpyrimidine-5-carboxylate
- DTXSID20487339
- 62359-65-3
- 4-Formyl-2-methyl-pyrimidine-5-carboxylic acid ethyl ester
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- Inchi： 1S/C9H10N2O3/c1-3-14-9(13)7-4-10-6(2)11-8(7)5-12/h4-5H,3H2,1-2H3
- InChI Key： AUVLMBSNQJHEOP-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CN=C(C)N=C1C=O)=O
Computed Properties
- Exact Mass: 194.0692
- Monoisotopic Mass: 194.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 220
- 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: 69.2?2
Experimental Properties
- PSA: 69.15
5-Pyrimidinecarboxylic acid, 4-formyl-2-methyl-, ethyl ester Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
62359-65-3 (5-Pyrimidinecarboxylic acid, 4-formyl-2-methyl-, ethyl ester) Related Products
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