Cas no 683215-46-5 (2-((5-Ethylfuran-2-yl)methyl)malonic acid)
683215-46-5 structure
Product Name:2-((5-Ethylfuran-2-yl)methyl)malonic acid
CAS No:683215-46-5
MF:C10H12O5
MW:212.199283599854
CID:2677213
PubChem ID:45095055
Update Time:2025-04-21
2-((5-Ethylfuran-2-yl)methyl)malonic acid Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, [(5-ethyl-2-furanyl)methyl]- (9CI)
- 683215-46-5
- 2-((5-Ethylfuran-2-yl)methyl)malonic acid
-
- Inchi： 1S/C10H12O5/c1-2-6-3-4-7(15-6)5-8(9(11)12)10(13)14/h3-4,8H,2,5H2,1H3,(H,11,12)(H,13,14)
- InChI Key： QYTQFNGKWCPKQN-UHFFFAOYSA-N
- SMILES： O1C(=CC=C1CC(C(=O)O)C(=O)O)CC
Computed Properties
- Exact Mass: 212.068
- Monoisotopic Mass: 212.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 236
- 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
- Topological Polar Surface Area: 87.7A^2
- XLogP3: 1.4
2-((5-Ethylfuran-2-yl)methyl)malonic acid Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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