Cas no 64673-66-1 (1-(1-Ethoxyethoxy)-2-nitropropane)
64673-66-1 structure
Product Name:1-(1-Ethoxyethoxy)-2-nitropropane
CAS No:64673-66-1
MF:C7H15NO4
MW:177.198302507401
CID:2792545
PubChem ID:71371474
Update Time:2025-04-21
1-(1-Ethoxyethoxy)-2-nitropropane Chemical and Physical Properties
Names and Identifiers
-
- DTXSID50794407
- 1-(1-Ethoxyethoxy)-2-nitropropane
- 64673-66-1
-
- Inchi： 1S/C7H15NO4/c1-4-11-7(3)12-5-6(2)8(9)10/h6-7H,4-5H2,1-3H3
- InChI Key： RYOJYHKNMXEOAY-UHFFFAOYSA-N
- SMILES： O(C(C)OCC)CC(C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 177.10010796Da
- Monoisotopic Mass: 177.10010796Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 134
- 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
- XLogP3: 1
- Topological Polar Surface Area: 64.3?2
1-(1-Ethoxyethoxy)-2-nitropropane Related Literature
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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