Cas no 63731-11-3 (2,5-dihydro-2-oxo-3-Furancarboxylic acid methyl ester)
63731-11-3 structure
Product Name:2,5-dihydro-2-oxo-3-Furancarboxylic acid methyl ester
CAS No:63731-11-3
MF:C6H6O4
MW:142.109442234039
CID:1115215
PubChem ID:12395964
Update Time:2025-04-20
2,5-dihydro-2-oxo-3-Furancarboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,5-dihydro-2-oxo-3-Furancarboxylic acid methyl ester
- methyl 5-oxo-2H-furan-4-carboxylate
- Methyl 2-oxo-2,5-dihydrofuran-3-carboxylate
- 63731-11-3
- DTXSID40496226
-
- Inchi： 1S/C6H6O4/c1-9-5(7)4-2-3-10-6(4)8/h2H,3H2,1H3
- InChI Key： BGXMKPPPBMSLNR-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)OC)=CC1)=O
Computed Properties
- Exact Mass: 142.02660867g/mol
- Monoisotopic Mass: 142.02660867g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 204
- 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: 0.3
- Topological Polar Surface Area: 52.6?2
2,5-dihydro-2-oxo-3-Furancarboxylic acid methyl ester Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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