Cas no 70733-12-9 (5-Pyrimidinecarboxylicacid, 4-methyl-2-phenyl-, ethyl ester)
70733-12-9 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-methyl-2-phenyl-, ethyl ester
CAS No:70733-12-9
MF:C14H14N2O2
MW:242.273163318634
CID:581442
PubChem ID:239983
Update Time:2024-01-16
5-Pyrimidinecarboxylicacid, 4-methyl-2-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 4-methyl-2-phenyl-, ethyl ester
- ethyl 4-methyl-2-phenylpyrimidine-5-carboxylate
- NSC45816
- 70733-12-9
- AKOS038555721
- DTXSID40286447
- NSC-45816
- SCHEMBL3572484
-
- Inchi： 1S/C14H14N2O2/c1-3-18-14(17)12-9-15-13(16-10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
- InChI Key： LGQZZURGIURMEL-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CN=C(C2C=CC=CC=2)N=C1C)=O
Computed Properties
- Exact Mass: 242.10562
- Monoisotopic Mass: 242.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 277
- 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: 2.5
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- Density: 1.143
- Boiling Point: 303.3°Cat760mmHg
- Flash Point: 137.3°C
- Refractive Index: 1.557
- PSA: 52.08
5-Pyrimidinecarboxylicacid, 4-methyl-2-phenyl-, ethyl ester Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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