Cas no 357647-60-0 (2-Pyrimidinepentanal (9CI))
2-Pyrimidinepentanal (9CI) structure
Product Name:2-Pyrimidinepentanal (9CI)
CAS No:357647-60-0
MF:C9H12N2O
MW:164.204381942749
CID:920678
PubChem ID:21919409
Update Time:2025-04-19
2-Pyrimidinepentanal (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinepentanal (9CI)
- 5-pyrimidin-2-ylpentanal
- 357647-60-0
- DTXSID90620094
- DB-229225
- SCHEMBL5883528
- 5-(2-Pyrimidinyl)pentanal
- 5-(PYRIMIDIN-2-YL)PENTANAL
- 2-PYRIMIDINEPENTANAL
-
- Inchi： 1S/C9H12N2O/c12-8-3-1-2-5-9-10-6-4-7-11-9/h4,6-8H,1-3,5H2
- InChI Key： JUILWJMEUZYLPJ-UHFFFAOYSA-N
- SMILES： O=CCCCCC1N=CC=CN=1
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: 5
- Complexity: 122
- 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: 42.8?2
2-Pyrimidinepentanal (9CI) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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