Cas no 446252-19-3 (5-Pyrimidinecarboxylicacid, 4-(2-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, butyl ester)
446252-19-3 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-(2-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, butyl ester
CAS No:446252-19-3
MF:C14H18N2O4
MW:278.303723812103
CID:327657
PubChem ID:2748295
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, 4-(2-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, butyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarboxylicacid, 4-(2-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, butyl ester
- 5-Pyrimidinecarboxylicacid,4-(2-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-,butylester(9CI)
- AKOS004903748
- 446252-19-3
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- MDL： MFCD01108735
- Inchi： 1S/C14H18N2O4/c1-3-4-7-20-13(17)11-9(2)15-14(18)16-12(11)10-6-5-8-19-10/h5-6,8,12H,3-4,7H2,1-2H3,(H2,15,16,18)
- InChI Key： LPMHNLLTJRPKMG-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C1=C(C)NC(NC1C1=CC=CO1)=O)=O
Computed Properties
- Exact Mass: 278.12665706g/mol
- Monoisotopic Mass: 278.12665706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 419
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 80.6?2
5-Pyrimidinecarboxylicacid, 4-(2-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, butyl ester Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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