Cas no 737805-63-9 (1H-Pyrazole-3-carboxaldehyde,5-methyl-4-(2-propen-1-yl)-)
737805-63-9 structure
Product Name:1H-Pyrazole-3-carboxaldehyde,5-methyl-4-(2-propen-1-yl)-
CAS No:737805-63-9
MF:C8H10N2O
MW:150.177801609039
CID:559883
Update Time:2024-03-05
1H-Pyrazole-3-carboxaldehyde,5-methyl-4-(2-propen-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-3-carboxaldehyde,5-methyl-4-(2-propen-1-yl)-
- 1H-Pyrazole-3-carboxaldehyde,5-methyl-4-(2-propenyl)- (9CI)
- 1H-Pyrazole-3-carboxaldehyde, 5-methyl-4-(2-propenyl)- (9CI)
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- Inchi： 1S/C8H10N2O/c1-3-4-7-6(2)9-10-8(7)5-11/h3,5H,1,4H2,2H3,(H,9,10)
- InChI Key： KMRPJVZXMFMLGD-UHFFFAOYSA-N
- SMILES： N1C(C)=C(CC=C)C(C=O)=N1
Computed Properties
- Exact Mass: 150.079
- Monoisotopic Mass: 150.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 158
- 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: 45.8A^2
1H-Pyrazole-3-carboxaldehyde,5-methyl-4-(2-propen-1-yl)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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