Cas no 139584-77-3 (2-Pyrimidinecarboxylicacid, 2-propyn-1-yl ester)
139584-77-3 structure
Product Name:2-Pyrimidinecarboxylicacid, 2-propyn-1-yl ester
CAS No:139584-77-3
MF:C8H6N2O2
MW:162.145441532135
CID:102135
PubChem ID:15748930
Update Time:2025-04-18
2-Pyrimidinecarboxylicacid, 2-propyn-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinecarboxylicacid, 2-propyn-1-yl ester
- prop-2-ynyl pyrimidine-2-carboxylate
- DTXSID70577916
- prop-2-yn-1-ylpyrimidine-2-carboxylate
- prop-2-yn-1-yl pyrimidine-2-carboxylate
- 139584-77-3
- 2-Pyrimidinecarboxylicacid,2-propynylester(9CI)
-
- Inchi： 1S/C8H6N2O2/c1-2-6-12-8(11)7-9-4-3-5-10-7/h1,3-5H,6H2
- InChI Key： UCQYFZMONOQHJC-UHFFFAOYSA-N
- SMILES： O(CC#C)C(C1N=CC=CN=1)=O
Computed Properties
- Exact Mass: 162.042927438g/mol
- Monoisotopic Mass: 162.042927438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 200
- 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: -0.6
- Topological Polar Surface Area: 52.1?2
2-Pyrimidinecarboxylicacid, 2-propyn-1-yl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
139584-77-3 (2-Pyrimidinecarboxylicacid, 2-propyn-1-yl ester) Related Products
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