Cas no 357654-97-8 (2-Pyrimidinepropanal, 5-ethyl- (9CI))
357654-97-8 structure
Product Name:2-Pyrimidinepropanal, 5-ethyl- (9CI)
CAS No:357654-97-8
MF:C9H12N2O
MW:164.204381942749
CID:920679
PubChem ID:21919369
Update Time:2025-04-19
2-Pyrimidinepropanal, 5-ethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinepropanal, 5-ethyl- (9CI)
- DB-282554
- SCHEMBL7709192
- 357654-97-8
- 2-PYRIMIDINEPROPANAL, 5-ETHYL-
-
- Inchi： 1S/C9H12N2O/c1-2-8-6-10-9(11-7-8)4-3-5-12/h5-7H,2-4H2,1H3
- InChI Key： CWKJVBAJZDKBSD-UHFFFAOYSA-N
- SMILES： O=CCCC1N=CC(=CN=1)CC
Computed Properties
- Exact Mass: 164.094963011g/mol
- Monoisotopic Mass: 164.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 131
- 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: 0.7
- Topological Polar Surface Area: 42.8?2
2-Pyrimidinepropanal, 5-ethyl- (9CI) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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