Cas no 21973-20-6 (2-Butenedial,2-methyl-, (2Z)-)
2-Butenedial,2-methyl-, (2Z)- structure
Product Name:2-Butenedial,2-methyl-, (2Z)-
CAS No:21973-20-6
MF:C5H6O2
MW:98.0999417304993
CID:280630
Update Time:2024-01-27
2-Butenedial,2-methyl-, (2Z)- Chemical and Physical Properties
Names and Identifiers
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- 2-Butenedial,2-methyl-, (2Z)-
- 2-Butenedial,2-methyl-, (Z)-
- Citraconaldehyde (8CI)
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- Inchi： 1S/C5H6O2/c1-5(4-7)2-3-6/h2-4H,1H3/b5-2-
- InChI Key： USBJWIKCHJDWPF-DJWKRKHSSA-N
- SMILES： C(=O)/C(/C)=C\C=O
Computed Properties
- Exact Mass: 98.03678
- Monoisotopic Mass: 98.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 103
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 34.1A^2
Experimental Properties
- PSA: 34.14
2-Butenedial,2-methyl-, (2Z)- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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
21973-20-6 (2-Butenedial,2-methyl-, (2Z)-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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