Cas no 544433-72-9 (1H-Pyrazole,1-(1-oxoheptyl)-(9CI))
544433-72-9 structure
Product Name:1H-Pyrazole,1-(1-oxoheptyl)-(9CI)
CAS No:544433-72-9
MF:C10H16N2O
MW:180.246842384338
CID:1017572
PubChem ID:4099327
Update Time:2025-04-20
1H-Pyrazole,1-(1-oxoheptyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,1-(1-oxoheptyl)-(9CI)
- 1-(1H-Pyrazol-1-yl)-1-heptanone
- 1H-PYRAZOLE, 1-(1-OXOHEPTYL)-
- 544433-72-9
- AKOS003872723
- DB-322993
- 1-(1H-Pyrazol-1-yl)heptan-1-one
-
- Inchi： 1S/C10H16N2O/c1-2-3-4-5-7-10(13)12-9-6-8-11-12/h6,8-9H,2-5,7H2,1H3
- InChI Key： NJOCMLSEVJTDKF-UHFFFAOYSA-N
- SMILES： O=C(CCCCCC)N1C=CC=N1
Computed Properties
- Exact Mass: 180.126263138g/mol
- Monoisotopic Mass: 180.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 159
- 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: 2.6
- Topological Polar Surface Area: 34.9?2
1H-Pyrazole,1-(1-oxoheptyl)-(9CI) Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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