Cas no 764664-92-8 (1H-Pyrazole-1-aceticacid, a-cyano-, methyl ester)
764664-92-8 structure
Product Name:1H-Pyrazole-1-aceticacid, a-cyano-, methyl ester
CAS No:764664-92-8
MF:C7H7N3O2
MW:165.149380922318
CID:550494
PubChem ID:11961511
Update Time:2025-04-19
1H-Pyrazole-1-aceticacid, a-cyano-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-1-aceticacid, a-cyano-, methyl ester
- 1H-Pyrazole-1-aceticacid,alpha-cyano-,methylester(9CI)
- 1H-Pyrazole-1-aceticacid,α-cyano-,methylester(9CI)
- Methyl 2-cyano-2-(1H-pyrazol-1-yl)acetate
- 764664-92-8
- methyl 2-cyano-2-pyrazol-1-ylacetate
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- Inchi： 1S/C7H7N3O2/c1-12-7(11)6(5-8)10-4-2-3-9-10/h2-4,6H,1H3
- InChI Key： COMLGZYDICPQFH-UHFFFAOYSA-N
- SMILES： O(C)C(C(C#N)N1C=CC=N1)=O
Computed Properties
- Exact Mass: 165.05400
- Monoisotopic Mass: 165.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 67.9A^2
- XLogP3: 0.2
Experimental Properties
- PSA: 67.91000
- LogP: 0.12078
1H-Pyrazole-1-aceticacid, a-cyano-, methyl ester Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
764664-92-8 (1H-Pyrazole-1-aceticacid, a-cyano-, methyl ester) Related Products
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