Cas no 3055-23-0 (1(2H)-Pyrimidineacetaldehyde,3,4-dihydro-2,4-dioxo-)
3055-23-0 structure
Product Name:1(2H)-Pyrimidineacetaldehyde,3,4-dihydro-2,4-dioxo-
1(2H)-Pyrimidineacetaldehyde,3,4-dihydro-2,4-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Pyrimidineacetaldehyde,3,4-dihydro-2,4-dioxo-
- 2-(2,4-dioxopyrimidin-1-yl)acetaldehyde
- (2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetaldehyde
- (2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetaldehyde
- AC1L5NJI
- AC1Q6QLW
- CTK4G5404
- KST-1B2917
- NSC75726
- uracil N1-acetaldehyde
- DTXSID90291460
- uracil-1-ylacetaldehyde
- 1(2h)-pyrimidineacetaldehyde, 3,4-dihydro-2,4-dioxo-
- AKOS003621388
- SCHEMBL4788922
- NSC-75726
- 3055-23-0
-
- Inchi： 1S/C6H6N2O3/c9-4-3-8-2-1-5(10)7-6(8)11/h1-2,4H,3H2,(H,7,10,11)
- InChI Key： IQLBKCJGVIQTLO-UHFFFAOYSA-N
- SMILES： O=C1NC(C=CN1CC=O)=O
Computed Properties
- Exact Mass: 154.03788
- Monoisotopic Mass: 154.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 234
- 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: -1.3
- Topological Polar Surface Area: 66.5?2
Experimental Properties
- Density: 1.343
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.517
- PSA: 66.48
- LogP: -1.26450
1(2H)-Pyrimidineacetaldehyde,3,4-dihydro-2,4-dioxo- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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