Cas no 61486-97-3 (2H-Quinolizine-9-carboxylic acid, 1,3,4,6-tetrahydro-8-hydroxy-6-oxo-,ethyl ester)
61486-97-3 structure
Product Name:2H-Quinolizine-9-carboxylic acid, 1,3,4,6-tetrahydro-8-hydroxy-6-oxo-,ethyl ester
CAS No:61486-97-3
MF:C12H15NO4
MW:237.251803636551
CID:477600
PubChem ID:54705745
Update Time:2025-04-19
2H-Quinolizine-9-carboxylic acid, 1,3,4,6-tetrahydro-8-hydroxy-6-oxo-,ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2H-Quinolizine-9-carboxylic acid, 1,3,4,6-tetrahydro-8-hydroxy-6-oxo-,ethyl ester
- ethyl 2-hydroxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
- 61486-97-3
- ethyl 8-hydroxy-6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate
- AURORA KA-3756
- DTXSID10716069
- ETHYL 8-HYDROXY-6-OXO-2,3,4,6-TETRAHYDRO-1H-QUINOLIZINE-9-CARBOXYLATE
- ETHYL8-HYDROXY-6-OXO-2,3,4,6-TETRAHYDRO-1H-QUINOLIZINE-9-CARBOXYLATE
- BS-4457
- AKOS026674634
-
- Inchi： 1S/C12H15NO4/c1-2-17-12(16)11-8-5-3-4-6-13(8)10(15)7-9(11)14/h7,14H,2-6H2,1H3
- InChI Key： LYYSCZGEBOMJCY-UHFFFAOYSA-N
- SMILES： O=C1C=C(C(C(=O)OCC)=C2CCCCN21)O
Computed Properties
- Exact Mass: 237.10010796g/mol
- Monoisotopic Mass: 237.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 422
- 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
- Topological Polar Surface Area: 66.8?2
2H-Quinolizine-9-carboxylic acid, 1,3,4,6-tetrahydro-8-hydroxy-6-oxo-,ethyl ester Related Literature
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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