Cas no 88302-07-2 (3-Pyridinecarboxylic acid, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-)
88302-07-2 structure
Product Name:3-Pyridinecarboxylic acid, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-
CAS No:88302-07-2
MF:C11H13NO4
MW:223.225223302841
CID:638238
PubChem ID:13236511
Update Time:2025-04-19
3-Pyridinecarboxylic acid, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-
- 6-ethyl-2-oxo-5-propanoyl-1H-pyridine-3-carboxylic acid
- 6-Ethyl-2-oxo-5-propanoyl-1,2-dihydropyridine-3-carboxylic acid
- SCHEMBL10995339
- 88302-07-2
- 6-ethyl-1,2-dihydro-2-oxo-5-(n-propanoyl)-nicotinic acid
- 6-ethyl-1,2-dihydro-2-oxo-5-(n-propanoyl)nicotinic acid
- YHDKUXJBSHEMTQ-UHFFFAOYSA-N
- DTXSID50530882
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- Inchi： 1S/C11H13NO4/c1-3-8-6(9(13)4-2)5-7(11(15)16)10(14)12-8/h5H,3-4H2,1-2H3,(H,12,14)(H,15,16)
- InChI Key： YHDKUXJBSHEMTQ-UHFFFAOYSA-N
- SMILES： O=C(CC)C1C=C(C(=O)O)C(NC=1CC)=O
Computed Properties
- Exact Mass: 223.08445790g/mol
- Monoisotopic Mass: 223.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 418
- 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: 1.2
- Topological Polar Surface Area: 83.5?2
3-Pyridinecarboxylic acid, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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2. 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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
88302-07-2 (3-Pyridinecarboxylic acid, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-) Related Products
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