Cas no 10196-27-7 (Glycine, N-(1-oxo-2-propenyl)-, ethyl ester)
10196-27-7 structure
Product Name:Glycine, N-(1-oxo-2-propenyl)-, ethyl ester
CAS No:10196-27-7
MF:C7H11NO3
MW:157.167142152786
CID:1131502
Update Time:2024-07-27
Glycine, N-(1-oxo-2-propenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Glycine, N-(1-oxo-2-propenyl)-, ethyl ester
- Glycine, N-(1-oxo-2-propen-1-yl)-, ethyl ester
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- Inchi: 1S/C7H11NO3/c1-3-6(9)8-5-7(10)11-4-2/h3H,1,4-5H2,2H3,(H,8,9)
- InChI Key: UTIFGMUPWVWNIR-UHFFFAOYSA-N
- SMILES: C(OCC)(=O)CNC(=O)C=C
Computed Properties
- Exact Mass: 157.073893g/mol
- Monoisotopic Mass: 157.073893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 165
- 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
- Molecular Weight: 157.17g/mol
- XLogP3: 0.2
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- Density: 1.057±0.06 g/cm3(Predicted)
- Boiling Point: 111-114 °C(Press: 1 Torr)
- pka: 13.26±0.46(Predicted)
Glycine, N-(1-oxo-2-propenyl)-, ethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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