Cas no 53854-18-5 (Imidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione, 7-methyl-6-nitro-)
![Imidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione, 7-methyl-6-nitro- structure](https://ossimg.kuujia.com/scimg/54000/53854-18-5x500.png)
53854-18-5 structure
Product Name:Imidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione, 7-methyl-6-nitro-
CAS No:53854-18-5
MF:C7H6N4O4
MW:210.14694070816
CID:356213
PubChem ID:136269850
Update Time:2025-04-19
Imidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione, 7-methyl-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Imidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione, 7-methyl-6-nitro-
- 7-methyl-6-nitro-3,8-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
- DTXSID10788448
- 7-Methyl-6-nitroimidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione
- 7-Methyl-6-nitroimidazo[1,2-a]pyrimidine-2,5(3H,8H)-dione
- 53854-18-5
-
- Inchi： 1S/C7H6N4O4/c1-3-5(11(14)15)6(13)10-2-4(12)9-7(10)8-3/h2H2,1H3,(H,8,9,12)
- InChI Key： WVKOGQVTMQINIU-UHFFFAOYSA-N
- SMILES： O=C1C(=C(C)N=C2NC(CN21)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 210.03898
- Monoisotopic Mass: 210.03890469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 444
- 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: -0.7
- Topological Polar Surface Area: 108?2
Experimental Properties
- PSA: 104.91
Imidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione, 7-methyl-6-nitro- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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