Cas no 62715-95-1 (1H-Pyrazole, 1-(1-oxo-2-propenyl)-)
62715-95-1 structure
Product Name:1H-Pyrazole, 1-(1-oxo-2-propenyl)-
CAS No:62715-95-1
MF:C6H6N2O
MW:122.12464094162
CID:434372
PubChem ID:21858524
Update Time:2025-04-19
1H-Pyrazole, 1-(1-oxo-2-propenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-(1-oxo-2-propenyl)-
- 1-pyrazol-1-ylprop-2-en-1-one
- 62715-95-1
- DTXSID60618908
- SCHEMBL7784825
- 1-(1H-Pyrazol-1-yl)prop-2-en-1-one
-
- Inchi： 1S/C6H6N2O/c1-2-6(9)8-5-3-4-7-8/h2-5H,1H2
- InChI Key： XSTKTHZGDAEENU-UHFFFAOYSA-N
- SMILES： O=C(C=C)N1C=CC=N1
Computed Properties
- Exact Mass: 122.04808
- Monoisotopic Mass: 122.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 133
- 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: 34.9?2
Experimental Properties
- PSA: 34.89
1H-Pyrazole, 1-(1-oxo-2-propenyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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