Cas no 353245-45-1 (1-methyl-1H-Pyrazole-3,5-dicarboxaldehyde)
353245-45-1 structure
Product Name:1-methyl-1H-Pyrazole-3,5-dicarboxaldehyde
CAS No:353245-45-1
MF:C6H6N2O2
MW:138.124041080475
CID:1111377
PubChem ID:71359738
Update Time:2025-04-20
1-methyl-1H-Pyrazole-3,5-dicarboxaldehyde Chemical and Physical Properties
Names and Identifiers
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- 1-methyl-1H-Pyrazole-3,5-dicarboxaldehyde
- 1-methylpyrazole-3,5-dicarbaldehyde
- 353245-45-1
- 1-methyl-3,5-pyrazoledicarbaldehyde
- 1-Methyl-1H-pyrazole-3,5-dicarbaldehyde
- DTXSID50783578
-
- Inchi: 1S/C6H6N2O2/c1-8-6(4-10)2-5(3-9)7-8/h2-4H,1H3
- InChI Key: RZUDDGKTFLHJDG-UHFFFAOYSA-N
- SMILES: O=CC1=CC(C=O)=NN1C
Computed Properties
- Exact Mass: 138.042927438g/mol
- Monoisotopic Mass: 138.042927438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 149
- 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: -0.2
- Topological Polar Surface Area: 52?2
1-methyl-1H-Pyrazole-3,5-dicarboxaldehyde Related Literature
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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