Cas no 1378821-75-0 (Propyl 5-hydroxypyrimidine-2-carboxylate)
1378821-75-0 structure
Product Name:Propyl 5-hydroxypyrimidine-2-carboxylate
CAS No:1378821-75-0
MF:C8H10N2O3
MW:182.176601886749
CID:1080376
PubChem ID:72206976
Update Time:2025-04-20
Propyl 5-hydroxypyrimidine-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Propyl 5-hydroxypyrimidine-2-carboxylate
- 1378821-75-0
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- Inchi： 1S/C8H10N2O3/c1-2-3-13-8(12)7-9-4-6(11)5-10-7/h4-5,11H,2-3H2,1H3
- InChI Key： QWAJZRDSWWPABN-UHFFFAOYSA-N
- SMILES： O(C(C1N=CC(=CN=1)O)=O)CCC
Computed Properties
- Exact Mass: 182.06914219g/mol
- Monoisotopic Mass: 182.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 167
- 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: 0.9
- Topological Polar Surface Area: 72.3?2
Propyl 5-hydroxypyrimidine-2-carboxylate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
1378821-75-0 (Propyl 5-hydroxypyrimidine-2-carboxylate) Related Products
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