Cas no 54401-76-2 ( )
structure
Product Name:
CAS No:54401-76-2
MF:C15H15NO5
MW:289.283304452896
CID:941069
PubChem ID:262620
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- diethyl 4-oxoquinolizine-1,3-dicarboxylate
- 1,3-Bis-(ethoxycarbonyl)-4-chinolizin
- 1,3-Bis-carbethoxy-4H-chinolizin
- 1,3-Dicarboethoxy-4-quinolizone
- 1,3-Diethoxycarbonyl-4H-chinolizin-4-on
- 1,3-diethoxycarbonyl-4H-quinolizin-4-one
- 1,3-diethoxycarbonyl-4-oxo-4H-quinolizine
- 4-Oxo-4H-chinolizin-1,3-dicarbonsaeure-diaethylester
- 4-oxo-4H-quinolizin-1,3-dicarboxylic acid diethyl ester
- AC1L67VF
- AC1Q64PV
- AC-907
- Diethyl 4-oxo-4H-quinolizine-1,3-dicarboxylate
- NSC 96508
- SMR000162689
- AC-907/25000244
- NSC96508
- NSC-96508
- MLS000538212
- 54401-76-2
- 4-oxo-5H-quinolizine-1,3-dicarboxylic acid diethyl ester
- NCIOpen2_007045
- UNII-QI141362ZO
- QI141362ZO
- NCGC00247257-01
- CHEMBL1566749
- SCHEMBL10796863
- HMS2311O21
- BDBM51687
- 4H-Quinolizine-1,3-dicarboxylic acid, 4-oxo-, diethyl ester
- 4-oxoquinolizine-1,3-dicarboxylic acid diethyl ester
- Oprea1_002113
- diethyl 4-oxidanylidenequinolizine-1,3-dicarboxylate
- 4-ketoquinolizine-1,3-dicarboxylic acid diethyl ester
- 4H-QUINOLIZINE-1,3-DICARBOXYLIC ACID, 4-OXO-, 1,3-DIETHYL ESTER
- DTXSID10202795
- cid_262620
-
-
- Inchi： 1S/C15H15NO5/c1-3-20-14(18)10-9-11(15(19)21-4-2)13(17)16-8-6-5-7-12(10)16/h5-9H,3-4H2,1-2H3
- InChI Key： CCPCKLDLCGDBJZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=C(C(=O)OCC)C(N2C=CC=CC2=1)=O)=O
Computed Properties
- Exact Mass: 289.09505
- Monoisotopic Mass: 289.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 610
- 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: 1.7
- Topological Polar Surface Area: 72.9?2
Experimental Properties
- Density: 1.3
- Boiling Point: 484.1°C at 760 mmHg
- Flash Point: 246.6°C
- Refractive Index: 1.584
- PSA: 72.91
Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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