Cas no 89985-45-5 (4-Pyrimidinecarboxylic acid, hexahydro-3-(1-methylethyl)-2,6-dioxo-)
89985-45-5 structure
Product Name:4-Pyrimidinecarboxylic acid, hexahydro-3-(1-methylethyl)-2,6-dioxo-
CAS No:89985-45-5
MF:C8H12N2O4
MW:200.191882133484
CID:584092
PubChem ID:13205029
Update Time:2025-04-19
4-Pyrimidinecarboxylic acid, hexahydro-3-(1-methylethyl)-2,6-dioxo- Chemical and Physical Properties
Names and Identifiers
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- 4-Pyrimidinecarboxylic acid, hexahydro-3-(1-methylethyl)-2,6-dioxo-
- 2,6-dioxo-3-propan-2-yl-1,3-diazinane-4-carboxylic acid
- 3-Isopropyl-2,6-dioxohexahydropyrimidine-4-carboxylic acid
- DTXSID80527503
- 2,6-Dioxo-3-(propan-2-yl)hexahydropyrimidine-4-carboxylic acid
- 89985-45-5
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- Inchi： 1S/C8H12N2O4/c1-4(2)10-5(7(12)13)3-6(11)9-8(10)14/h4-5H,3H2,1-2H3,(H,12,13)(H,9,11,14)
- InChI Key： DPFDESMQDILWIL-UHFFFAOYSA-N
- SMILES： O=C1NC(CC(C(=O)O)N1C(C)C)=O
Computed Properties
- Exact Mass: 200.07970687g/mol
- Monoisotopic Mass: 200.07970687g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 287
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 86.7?2
4-Pyrimidinecarboxylic acid, hexahydro-3-(1-methylethyl)-2,6-dioxo- Related Literature
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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