Cas no 53039-86-4 (2,4,6-trioxohexahydropyrimidin-5-yl acetate)
53039-86-4 structure
Product Name:2,4,6-trioxohexahydropyrimidin-5-yl acetate
CAS No:53039-86-4
MF:C6H6N2O5
MW:186.12224149704
CID:1580539
PubChem ID:104384
Update Time:2025-04-21
2,4,6-trioxohexahydropyrimidin-5-yl acetate Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-trioxohexahydropyrimidin-5-yl acetate
- 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(acetyloxy)-
- (2,4,6-trioxo-1,3-diazinan-5-yl) acetate
- DTXSID30201083
- 5-(Acetyloxy)-2,4,6(1H,3H,5H)-pyrimidinetrione
- 53039-86-4
- Acetyldialuric acid
- BRN 0188162
-
- Inchi： 1S/C6H6N2O5/c1-2(9)13-3-4(10)7-6(12)8-5(3)11/h3H,1H3,(H2,7,8,10,11,12)
- InChI Key： SFCQPXJONKIWQK-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C(NC(NC1=O)=O)=O
Computed Properties
- Exact Mass: 186.02768
- Monoisotopic Mass: 186.02767130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 277
- 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: -1.1
- Topological Polar Surface Area: 102?2
Experimental Properties
- PSA: 101.57
2,4,6-trioxohexahydropyrimidin-5-yl acetate Related Literature
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
53039-86-4 (2,4,6-trioxohexahydropyrimidin-5-yl acetate) Related Products
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