Cas no 114549-64-3 (Pyridine,3-(1-methylethoxy)-4-nitro-, 1-oxide)
114549-64-3 structure
Product Name:Pyridine,3-(1-methylethoxy)-4-nitro-, 1-oxide
CAS No:114549-64-3
MF:C8H10N2O4
MW:198.176002025604
CID:132440
PubChem ID:45116394
Update Time:2025-04-19
Pyridine,3-(1-methylethoxy)-4-nitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Pyridine,3-(1-methylethoxy)-4-nitro-, 1-oxide
- Pyridine, 3-(1-methylethoxy)-4-nitro-, 1-oxide (9CI)
- Pyridine,3-(1-methylethoxy)-4-nitro-,1-oxide(9ci)
- 114549-64-3
-
- Inchi： 1S/C8H10N2O4/c1-6(2)14-8-5-9(11)4-3-7(8)10(12)13/h3-6H,1-2H3
- InChI Key： MVFXFRFRZKJDQK-UHFFFAOYSA-N
- SMILES： O(C1C=[N+](C=CC=1[N+](=O)[O-])[O-])C(C)C
Computed Properties
- Exact Mass: 198.0641
- Monoisotopic Mass: 198.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 204
- 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: 0.5
- Topological Polar Surface Area: 80.5?2
Experimental Properties
- PSA: 79.31
Pyridine,3-(1-methylethoxy)-4-nitro-, 1-oxide Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
114549-64-3 (Pyridine,3-(1-methylethoxy)-4-nitro-, 1-oxide) Related Products
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