Cas no 104116-70-3 (2-Quinolinecarboxylicacid, 6-ethoxy-)
104116-70-3 structure
Product Name:2-Quinolinecarboxylicacid, 6-ethoxy-
CAS No:104116-70-3
MF:C12H11NO3
MW:217.220643281937
CID:126030
PubChem ID:57357295
Update Time:2025-04-18
2-Quinolinecarboxylicacid, 6-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Quinolinecarboxylicacid, 6-ethoxy-
- 6-ethoxyquinoline-2-carboxylic acid
- Quinaldic acid, 6-ethoxy- (6CI)
- DTXSID70723618
- 104116-70-3
-
- Inchi： 1S/C12H11NO3/c1-2-16-9-4-6-10-8(7-9)3-5-11(13-10)12(14)15/h3-7H,2H2,1H3,(H,14,15)
- InChI Key： XDFMALMAIWXTNC-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC2C(=CC=C(C(=O)O)N=2)C=1
Computed Properties
- Exact Mass: 217.07389321g/mol
- Monoisotopic Mass: 217.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 257
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.4
- Topological Polar Surface Area: 59.4?2
Experimental Properties
- PSA: 59.42000
- LogP: 2.33170
2-Quinolinecarboxylicacid, 6-ethoxy- Related Literature
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
104116-70-3 (2-Quinolinecarboxylicacid, 6-ethoxy-) Related Products
- 21141-35-5(8-Methoxyquinoline-2-carboxylic acid)
- 4382-54-1(5-methoxy-1H-indole-2-carboxylic acid)
- 103260-65-7(4-methoxy-1H-indole-2-carboxylic acid)
- 16732-73-3(6-Methoxy-1H-indole-2-carboxylic acid)
- 93476-60-9(5-ETHOXY-1H-INDOLE-2-CARBOXYLIC ACID)
- 15733-83-2(4-Methoxyquinoline-2-carboxylic acid)
- 75433-99-7(6-Methoxyquinoline-2-carboxylic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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