Cas no 85394-19-0 (3-(thymin-1'-yl)-2-propenal)
3-(thymin-1'-yl)-2-propenal structure
Product Name:3-(thymin-1'-yl)-2-propenal
CAS No:85394-19-0
MF:C8H8N2O3
MW:180.16072177887
CID:990402
PubChem ID:6439704
Update Time:2025-04-20
3-(thymin-1'-yl)-2-propenal Chemical and Physical Properties
Names and Identifiers
-
- 3-(thymin-1'-yl)-2-propenal
- (E)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enal
- CHEMBL176501
- (2E)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-propenal
- CCRIS 8713
- Thymine propenal
- CDPXAPVOBNKPPD-NSCUHMNNSA-N
- SCHEMBL6510682
- AM20110226
- 2-Propenal, 3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-
- 85394-19-0
- DTXSID20234603
- Thymine-N(1)-2-propenal
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- Inchi： 1S/C8H8N2O3/c1-6-5-10(3-2-4-11)8(13)9-7(6)12/h2-5H,1H3,(H,9,12,13)/b3-2+
- InChI Key： CDPXAPVOBNKPPD-NSCUHMNNSA-N
- SMILES： O=C1C(C)=CN(/C=C/C=O)C(N1)=O
Computed Properties
- Exact Mass: 180.05349212g/mol
- Monoisotopic Mass: 180.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 317
- 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: -0.8
- Topological Polar Surface Area: 66.5?2
3-(thymin-1'-yl)-2-propenal Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
85394-19-0 (3-(thymin-1'-yl)-2-propenal) Related Products
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