Cas no 1449569-97-4 (2,5-Oxazoledicarboxylic acid)
2,5-Oxazoledicarboxylic acid structure
Product Name:2,5-Oxazoledicarboxylic acid
CAS No:1449569-97-4
MF:C5H3NO5
MW:157.081021547318
CID:4730450
PubChem ID:22929443
Update Time:2024-03-01
2,5-Oxazoledicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Oxazoledicarboxylic acid
- Oxazole-2,5-dicarboxylic acid
-
- Inchi： 1S/C5H3NO5/c7-4(8)2-1-6-3(11-2)5(9)10/h1H,(H,7,8)(H,9,10)
- InChI Key： HAWWGXFIQWPHLJ-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)=NC=C1C(=O)O
Computed Properties
- Exact Mass: 157.00112220g/mol
- Monoisotopic Mass: 157.00112220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 191
- 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: 101
- XLogP3: 0.1
2,5-Oxazoledicarboxylic acid Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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