Cas no 97659-42-2 (4-Pyridinecarboxylicacid, 2-ethyldihydro-6-oxo- (9CI))
97659-42-2 structure
Product Name:4-Pyridinecarboxylicacid, 2-ethyldihydro-6-oxo- (9CI)
CAS No:97659-42-2
MF:C8H9NO3
MW:167.161962270737
CID:810685
PubChem ID:113444
Update Time:2025-04-19
4-Pyridinecarboxylicacid, 2-ethyldihydro-6-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylicacid, 2-ethyldihydro-6-oxo- (9CI)
- 2-ethyldihydro-6-oxoisonicotinic acid
- 2-ethyl-6-hydroxypyridine-4-carboxylic acid
- AKOS005256495
- DTXSID20913749
- AKOS017405883
- Z1198320047
- 97659-42-2
- 6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylicacid
- QTGMQKBCDNYHSK-UHFFFAOYSA-N
- 54881-17-3
- EINECS 307-446-8
- 6-ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
- SCHEMBL56627
- 6-ethyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid
- MFCD11226364
- 2-ethyl-6-oxo-1H-pyridine-4-carboxylic acid
- EN300-127507
- 6-ethyl-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid
- BS-40316
-
- Inchi： 1S/C8H9NO3/c1-2-6-3-5(8(11)12)4-7(10)9-6/h3-4H,2H2,1H3,(H,9,10)(H,11,12)
- InChI Key： QTGMQKBCDNYHSK-UHFFFAOYSA-N
- SMILES： O=C1C=C(C(=O)O)C=C(CC)N1
Computed Properties
- Exact Mass: 167.058
- Monoisotopic Mass: 167.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 289
- 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: 0.3
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- Density: 1.272
- Boiling Point: 373.3°Cat760mmHg
- Flash Point: 179.5°C
- Refractive Index: 1.539
4-Pyridinecarboxylicacid, 2-ethyldihydro-6-oxo- (9CI) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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