Cas no 26037-11-6 (pyrazole, 5-butadiynyl-1-methyl- (8ci))
26037-11-6 structure
Product Name:pyrazole, 5-butadiynyl-1-methyl- (8ci)
CAS No:26037-11-6
MF:C8H6N2
MW:130.146641254425
CID:914197
Update Time:2024-06-14
pyrazole, 5-butadiynyl-1-methyl- (8ci) Chemical and Physical Properties
Names and Identifiers
-
- pyrazole, 5-butadiynyl-1-methyl- (8ci)
- 5-butadiynyl-1-methyl-1H-pyrazole
- 1H-Pyrazole, 5-(1,3-butadiyn-1-yl)-1-methyl-
-
- Inchi： 1S/C8H6N2/c1-3-4-5-8-6-7-9-10(8)2/h1,6-7H,2H3
- InChI Key： JPQUBFZZVLDBEI-UHFFFAOYSA-N
- SMILES： N1(C)C(C#CC#C)=CC=N1
Computed Properties
- Exact Mass: 130.053
- Monoisotopic Mass: 130.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 221
- 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
- Topological Polar Surface Area: 17.8A^2
pyrazole, 5-butadiynyl-1-methyl- (8ci) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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