Cas no 623564-77-2 (6,7-dihydro-4-oxo-4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde)
623564-77-2 structure
Product Name:6,7-dihydro-4-oxo-4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde
CAS No:623564-77-2
MF:C7H6N2O3
MW:166.13414144516
CID:1021122
PubChem ID:21941485
Update Time:2025-04-20
6,7-dihydro-4-oxo-4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 6,7-dihydro-4-oxo-4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde
- 4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde,6,7-dihydro-4-oxo-(9CI)
- 4-oxo-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbaldehyde
- 623564-77-2
- KUEDVGNDBLCOED-UHFFFAOYSA-N
- SCHEMBL2927871
-
- Inchi: 1S/C7H6N2O3/c10-4-5-3-6-7(11)12-2-1-9(6)8-5/h3-4H,1-2H2
- InChI Key: KUEDVGNDBLCOED-UHFFFAOYSA-N
- SMILES: O1C(C2=CC(C=O)=NN2CC1)=O
Computed Properties
- Exact Mass: 166.03788
- Monoisotopic Mass: 166.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 219
- 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: 61.2A^2
- XLogP3: -0.1
Experimental Properties
- PSA: 61.19
6,7-dihydro-4-oxo-4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxaldehyde Related Literature
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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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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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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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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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