Cas no 133510-35-7 ( )
structure
Product Name:
CAS No:133510-35-7
MF:C6H4N2O3
MW:152.10756111145
CID:874399
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-Pyrimidinecarboxylicacid,5-formyl-(9CI)
- 5-formylpyrimidine-4-carboxylic acid
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- Inchi： 1S/C6H4N2O3/c9-2-4-1-7-3-8-5(4)6(10)11/h1-3H,(H,10,11)
- InChI Key： MLJBTPXKQYLJKE-UHFFFAOYSA-N
- SMILES： C1N=CC(C=O)=C(C(O)=O)N=1
Computed Properties
- Exact Mass: 152.022
- Monoisotopic Mass: 152.022
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 171
- 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
- Topological Polar Surface Area: 80.2A^2
Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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