Cas no 541-89-9 ((+-)-fumaric acid mono-(1-carboxy-ethylamide))
541-89-9 structure
Product Name:(+-)-fumaric acid mono-(1-carboxy-ethylamide)
CAS No:541-89-9
MF:C7H9NO5
MW:187.150062322617
CID:2064332
PubChem ID:53847561
Update Time:2025-04-21
(+-)-fumaric acid mono-(1-carboxy-ethylamide) Chemical and Physical Properties
Names and Identifiers
-
- (+-)-fumaric acid mono-(1-carboxy-ethylamide)
- (+-)-Fumarsaeure-mono-(1-carboxy-aethylamid)
- (E)-(+-)-4-[(1-carboxyethyl)amino]-4-oxo-2-butenoic acid
- AKOS010761059
- 2-Butenoic acid, 4-[(1-carboxyethyl)amino]-4-oxo
- 541-89-9
- DTXSID50875725
-
- Inchi： 1S/C7H9NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h2-4H,1H3,(H,8,9)(H,10,11)(H,12,13)
- InChI Key： GNLCKFJPWPKISM-UHFFFAOYSA-N
- SMILES： OC(C(C)NC(C=CC(=O)O)=O)=O
Computed Properties
- Exact Mass: 187.04807239g/mol
- Monoisotopic Mass: 187.04807239g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: -0.7
- Topological Polar Surface Area: 104?2
(+-)-fumaric acid mono-(1-carboxy-ethylamide) Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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