Cas no 145947-97-3 (Ethanone,1-(4-ethoxy-2-pyrimidinyl)-)
145947-97-3 structure
Product Name:Ethanone,1-(4-ethoxy-2-pyrimidinyl)-
CAS No:145947-97-3
MF:C8H10N2O2
MW:166.177201747894
CID:105504
PubChem ID:19392519
Update Time:2025-04-18
Ethanone,1-(4-ethoxy-2-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(4-ethoxy-2-pyrimidinyl)-
- Ethanone, 1-(4-ethoxy-2-pyrimidinyl)- (9CI)
- LNLIGTYHRVFOBN-UHFFFAOYSA-N
- SCHEMBL882972
- 145947-97-3
- 2-acetyl-4-ethoxypyrimidine
- 1-(4-ethoxypyrimidin-2-yl)ethanone
- Ethanone, 1-(4-ethoxy-2-pyrimidinyl)-
- DB-287070
-
- Inchi： 1S/C8H10N2O2/c1-3-12-7-4-5-9-8(10-7)6(2)11/h4-5H,3H2,1-2H3
- InChI Key： LNLIGTYHRVFOBN-UHFFFAOYSA-N
- SMILES： O(C1C=CN=C(C(C)=O)N=1)CC
Computed Properties
- Exact Mass: 166.0743
- Monoisotopic Mass: 166.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 161
- 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: 0.9
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.08
Ethanone,1-(4-ethoxy-2-pyrimidinyl)- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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