Cas no 4113-98-8 (ethyl (2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate)
4113-98-8 structure
Product Name:ethyl (2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CAS No:4113-98-8
MF:C8H10N2O4
MW:198.176002025604
CID:926625
PubChem ID:293824
Update Time:2025-04-19
ethyl (2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate Chemical and Physical Properties
Names and Identifiers
-
- ethyl (2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
- 1-(Carbethoxymethyl)-2-oxopiperidine; 1-(ethoxycarbonylmethyl)uracil; (2-oxo-piperidin-1-yl)-acetic acid ethyl ester; SureCN6528311; Uracil-1-essigsaeureaethylester; 1-Piperidineacetic acid, 2-oxo-, ethyl ester; AKOS009252785; 1-(ethoxycarbonylmethyl)-2-piperdone; ethyl 2-(2-oxo-1-piperidinyl)acetate; CTK0J6015; Uracyl-(3)-essigsaeure-aethylester; (2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid ethyl ester; 1-(ethylcarboxymethyl)-
- SCHEMBL6937491
- 4113-98-8
- Ethyl 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
- NSC-161063
- LMDHQGZJZPNYSF-UHFFFAOYSA-N
- AKOS009115150
- Ethyl (4-hydroxy-2-oxopyrimidin-1(2H)-yl)acetate
- NSC161063
- DTXSID70961452
- ethyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-acetate
-
- Inchi： 1S/C8H10N2O4/c1-2-14-7(12)5-10-4-3-6(11)9-8(10)13/h3-4H,2,5H2,1H3,(H,9,11,13)
- InChI Key： LMDHQGZJZPNYSF-UHFFFAOYSA-N
- SMILES： O(CC)C(CN1C=CC(NC1=O)=O)=O
Computed Properties
- Exact Mass: 198.0641
- Monoisotopic Mass: 198.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 298
- 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: 75.7?2
Experimental Properties
- PSA: 75.71
- LogP: -0.90030
ethyl (2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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