Cas no 25832-47-7 (1H-Pyrazole,3-(1,3-butadiyn-1-yl)-1-methyl-)
25832-47-7 structure
Product Name:1H-Pyrazole,3-(1,3-butadiyn-1-yl)-1-methyl-
CAS No:25832-47-7
MF:C8H6N2
MW:130.146641254425
CID:242360
Update Time:2024-01-26
1H-Pyrazole,3-(1,3-butadiyn-1-yl)-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,3-(1,3-butadiyn-1-yl)-1-methyl-
- Pyrazole,3-butadiynyl-1-methyl- (8CI)
- Pyrazole, 3-butadiynyl-1-methyl- (8CI)
- 1H-Pyrazole, 3-(1,3-butadiyn-1-yl)-1-methyl-
-
- Inchi： 1S/C8H6N2/c1-3-4-5-8-6-7-10(2)9-8/h1,6-7H,2H3
- InChI Key： MEMZHHCIRHVHPM-UHFFFAOYSA-N
- SMILES： N1(C)C=CC(C#CC#C)=N1
Computed Properties
- Exact Mass: 130.05318
- 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
Experimental Properties
- PSA: 17.82
1H-Pyrazole,3-(1,3-butadiyn-1-yl)-1-methyl- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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