Cas no 1196153-38-4 (methyl 2-ethynylpyrimidine-4-carboxylate)
1196153-38-4 structure
Product Name:methyl 2-ethynylpyrimidine-4-carboxylate
CAS No:1196153-38-4
MF:C8H6N2O2
MW:162.145441532135
CID:2616562
PubChem ID:72212456
Update Time:2025-04-21
methyl 2-ethynylpyrimidine-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-ethynylpyrimidine-4-carboxylate
- 1196153-38-4
- AB69139
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- Inchi： 1S/C8H6N2O2/c1-3-7-9-5-4-6(10-7)8(11)12-2/h1,4-5H,2H3
- InChI Key： PBCPJTOXAQVNSW-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CN=C(C#C)N=1)=O
Computed Properties
- Exact Mass: 162.042927438Da
- Monoisotopic Mass: 162.042927438Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 218
- 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: 0.7
- Topological Polar Surface Area: 52.1?2
methyl 2-ethynylpyrimidine-4-carboxylate Related Literature
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
1196153-38-4 (methyl 2-ethynylpyrimidine-4-carboxylate) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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