Cas no 86798-57-4 (uracil-2-propenal)
uracil-2-propenal structure
Product Name:uracil-2-propenal
CAS No:86798-57-4
MF:C7H6N2O3
MW:166.13414144516
CID:991934
PubChem ID:6439796
Update Time:2025-04-20
uracil-2-propenal Chemical and Physical Properties
Names and Identifiers
-
- uracil-2-propenal
- (2E)-3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acrylaldehyde
- 2-Propenal, 3-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-
- SCHEMBL7984568
- CHEMBL171971
- 86798-57-4
-
- Inchi： 1S/C7H6N2O3/c10-5-1-3-9-4-2-6(11)8-7(9)12/h1-5H,(H,8,11,12)/b3-1+
- InChI Key： HWONZTOPTYHAOP-HNQUOIGGSA-N
- SMILES： O=C1NC(C=CN1/C=C/C=O)=O
Computed Properties
- Exact Mass: 166.03784206g/mol
- Monoisotopic Mass: 166.03784206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 66.5?2
uracil-2-propenal Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
86798-57-4 (uracil-2-propenal) Related Products
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