Cas no 116041-58-8 (3-Furancarboxylic acid,2-propyn-1-yl ester)
116041-58-8 structure
Product Name:3-Furancarboxylic acid,2-propyn-1-yl ester
CAS No:116041-58-8
MF:C8H6O3
MW:150.131442546844
CID:131047
PubChem ID:45090076
Update Time:2025-04-19
3-Furancarboxylic acid,2-propyn-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Furancarboxylic acid,2-propyn-1-yl ester
- 3-Furancarboxylicacid,2-propynylester(9CI)
- prop-2-ynyl furan-3-carboxylate
- 3-FURANCARBOXYLIC ACID 2-PROPYNYL ESTER
- prop-2-yn-1-yl furan-3-carboxylate
- 116041-58-8
- DTXSID20666566
-
- Inchi： 1S/C8H6O3/c1-2-4-11-8(9)7-3-5-10-6-7/h1,3,5-6H,4H2
- InChI Key： FILIXFDMUZQLGQ-UHFFFAOYSA-N
- SMILES： O1C=CC(C(=O)OCC#C)=C1
Computed Properties
- Exact Mass: 150.03200
- Monoisotopic Mass: 150.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 189
- 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: 1.4
- Topological Polar Surface Area: 39.4A^2
Experimental Properties
- PSA: 39.44000
- LogP: 1.06960
3-Furancarboxylic acid,2-propyn-1-yl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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