Cas no 65586-75-6 (5-Pyrimidinecarboxylic acid, 2-(4-ethylphenyl)- (9CI))
65586-75-6 structure
Product Name:5-Pyrimidinecarboxylic acid, 2-(4-ethylphenyl)- (9CI)
CAS No:65586-75-6
MF:C13H12N2O2
MW:228.246582984924
CID:962151
PubChem ID:45117322
Update Time:2025-04-19
5-Pyrimidinecarboxylic acid, 2-(4-ethylphenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylic acid, 2-(4-ethylphenyl)- (9CI)
- 2-(4-ethylphenyl)pyrimidine-5-carboxylic acid
- DTXSID101240733
- 5-Pyrimidinecarboxylic acid,2-(4-ethylphenyl)-(9ci)
- AKOS012049800
- 65586-75-6
- 5-Pyrimidinecarboxylic acid, 2-(4-ethylphenyl)-
-
- Inchi： 1S/C13H12N2O2/c1-2-9-3-5-10(6-4-9)12-14-7-11(8-15-12)13(16)17/h3-8H,2H2,1H3,(H,16,17)
- InChI Key： TYELRURQJCEDMF-UHFFFAOYSA-N
- SMILES： OC(C1C=NC(C2C=CC(=CC=2)CC)=NC=1)=O
Computed Properties
- Exact Mass: 228.09
- Monoisotopic Mass: 228.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 254
- 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
- Topological Polar Surface Area: 63.1A^2
- XLogP3: 2.2
5-Pyrimidinecarboxylic acid, 2-(4-ethylphenyl)- (9CI) Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
65586-75-6 (5-Pyrimidinecarboxylic acid, 2-(4-ethylphenyl)- (9CI)) Related Products
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