Cas no 349119-47-7 (Acetic acid,2-[(cyanomethyl)amino]-2-oxo-, ethyl ester)
![Acetic acid,2-[(cyanomethyl)amino]-2-oxo-, ethyl ester structure](https://ossimg.kuujia.com/scimg/349500/349119-47-7x500.png)
349119-47-7 structure
Product Name:Acetic acid,2-[(cyanomethyl)amino]-2-oxo-, ethyl ester
CAS No:349119-47-7
MF:C6H8N2O3
MW:156.139321327209
CID:302749
PubChem ID:3412778
Update Time:2025-04-19
Acetic acid,2-[(cyanomethyl)amino]-2-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-[(cyanomethyl)amino]-2-oxo-, ethyl ester
- Aceticacid, [(cyanomethyl)amino]oxo-, ethyl ester (9CI)
- Ethyl [(cyanomethyl)amino](oxo)acetate
- Ethyl 2-((cyanomethyl)amino)-2-oxoacetate
- 349119-47-7
-
- Inchi： 1S/C6H8N2O3/c1-2-11-6(10)5(9)8-4-3-7/h2,4H2,1H3,(H,8,9)
- InChI Key： AILNUVBQRMMMKM-UHFFFAOYSA-N
- SMILES： O(C(C(NCC#N)=O)=O)CC
Computed Properties
- Exact Mass: 156.05349212g/mol
- Monoisotopic Mass: 156.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 203
- 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
- XLogP3: 0
- Topological Polar Surface Area: 79.2?2
Acetic acid,2-[(cyanomethyl)amino]-2-oxo-, 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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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