Cas no 54411-09-5 (4-Ethyl-5-propyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde)
54411-09-5 structure
Product Name:4-Ethyl-5-propyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde
CAS No:54411-09-5
MF:C9H16N2O
MW:168.236142158508
CID:2196002
Update Time:2023-08-06
4-Ethyl-5-propyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde Chemical and Physical Properties
Names and Identifiers
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- 4-Ethyl-4,5-dihydro-5-propyl-1h-pyrazole-1-carbaldehyde
- 4-Ethyl-5-propyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde
- UHVTUFQEEKVMFP-UHFFFAOYSA-N
- 1H-Pyrazole-1-carboxaldehyde, 4-ethyl-4,5-dihydro-5-propyl-
- 4-ethyl-4,5-dihydro-5-propyl-1h-pyrazol-1-carboxaldehyde
- 4-Ethyl-5-propyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde #
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- Inchi： 1S/C9H16N2O/c1-3-5-9-8(4-2)6-10-11(9)7-12/h6-9H,3-5H2,1-2H3
- InChI Key： UHVTUFQEEKVMFP-UHFFFAOYSA-N
- SMILES： O=CN1C(CCC)C(C=N1)CC
Computed Properties
- Exact Mass: 168.126
- Monoisotopic Mass: 168.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.7
4-Ethyl-5-propyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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