Cas no 22418-77-5 (2-Butenoic acid, 4-oxo-)
2-Butenoic acid, 4-oxo- structure
Product Name:2-Butenoic acid, 4-oxo-
2-Butenoic acid, 4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 4-oxo-
- DTXSID001023308
- 22418-77-5
- beta-formylacrylic acid
- 4-Oxo-2-butenoic acid
-
- Inchi: 1S/C4H4O3/c5-3-1-2-4(6)7/h1-3H,(H,6,7)
- InChI Key: ZOIRMVZWDRLJPI-UHFFFAOYSA-N
- SMILES: OC(C=CC=O)=O
Computed Properties
- Exact Mass: 100.01602
- Monoisotopic Mass: 100.016043985g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 104
- 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
- XLogP3: -0.5
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
2-Butenoic acid, 4-oxo- Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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