Cas no 50741-35-0 (3-Quinolinecarboxylic acid, 1,2-dihydro-1-methyl-, ethyl ester)
50741-35-0 structure
Product Name:3-Quinolinecarboxylic acid, 1,2-dihydro-1-methyl-, ethyl ester
CAS No:50741-35-0
MF:C13H13NO2
MW:215.247823476791
CID:364173
PubChem ID:67977913
Update Time:2025-04-19
3-Quinolinecarboxylic acid, 1,2-dihydro-1-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Quinolinecarboxylic acid, 1,2-dihydro-1-methyl-, ethyl ester
- ethyl 1-methyl-2H-quinoline-3-carboxylate
- 50741-35-0
- SCHEMBL9944380
- Isopropyl quinoline-3-carboxylate
-
- Inchi： 1S/C13H13NO2/c1-9(2)16-13(15)11-7-10-5-3-4-6-12(10)14-8-11/h3-9H,1-2H3
- InChI Key： YVGXIZNFMBLYND-UHFFFAOYSA-N
- SMILES： O(C(C1=CN=C2C=CC=CC2=C1)=O)C(C)C
Computed Properties
- Exact Mass: 217.11035
- Monoisotopic Mass: 215.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 252
- 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: 3
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 29.54
3-Quinolinecarboxylic acid, 1,2-dihydro-1-methyl-, ethyl ester Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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