Cas no 29939-36-4 (Pyrimidine, 4,6-diethoxy-5-nitro- (8ci,9ci))
29939-36-4 structure
Product Name:Pyrimidine, 4,6-diethoxy-5-nitro- (8ci,9ci)
CAS No:29939-36-4
MF:C8H11N3O4
MW:213.190641641617
CID:2195500
PubChem ID:22537226
Update Time:2025-04-21
Pyrimidine, 4,6-diethoxy-5-nitro- (8ci,9ci) Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4,6-diethoxy-5-nitro- (8ci,9ci)
- 4,6-diethoxy-5-nitropyrimidine
- 29939-36-4
- AC-907/34126062
- DTXSID30626398
- AKOS002872035
-
- Inchi： 1S/C8H11N3O4/c1-3-14-7-6(11(12)13)8(15-4-2)10-5-9-7/h5H,3-4H2,1-2H3
- InChI Key： KDDQOCPZJRYRCV-UHFFFAOYSA-N
- SMILES： O(CC)C1C(=C(N=CN=1)OCC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 213.07495584Da
- Monoisotopic Mass: 213.07495584Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 195
- 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: 1.4
- Topological Polar Surface Area: 90.1?2
Pyrimidine, 4,6-diethoxy-5-nitro- (8ci,9ci) Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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