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CAS No.: | 5457-25-0 |
---|---|
Name: | ethyl 2-cyano-2-nitroso-acetate |
Molecular Structure: | |
Formula: | C5H6N2O3 |
Molecular Weight: | 142.114 |
Synonyms: | Ethylcyanonitrosoacetate;Ethyl nitrosocyanacetate;NSC 24930;Ethyl 3-nitrilo-n-oxoalaninate;NSC24930;AC1Q4QSW;AC1L5J6G;Ethyl 2-cyano-2-nitrosoacetate;AR-1I8888;CID230278; |
Density: | 1.24 g/cm3 |
Boiling Point: | 198.5 °C at 760 mmHg |
Flash Point: | 73.9 °C |
PSA: | 79.52000 |
LogP: | 0.20808 |
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The Acetic acid,cyanonitroso-, ethyl ester (8CI,9CI) with CAS registry number of 5457-25-0 is also known as Ethyl 3-nitrilo-n-oxoalaninate. The IUPAC name is Ethyl 2-cyano-2-nitrosoacetate. In addition, the formula is C5H6N2O3 and the molecular weight is 142.11.
Physical properties about Acetic acid,cyanonitroso-, ethyl ester (8CI,9CI) are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 79.52Å2; (7)Index of Refraction: 1.495; (8)Molar Refractivity: 33.46 cm3; (9)Molar Volume: 114.5 cm3; (10)Polarizability: 13.26×10-24cm3; (11)Surface Tension: 45.3 dyne/cm; (12)Density: 1.24 g/cm3; (13)Flash Point: 73.9 °C; (14)Enthalpy of Vaporization: 43.47 kJ/mol; (15)Boiling Point: 198.5 °C at 760 mmHg; (16)Vapour Pressure: 0.358 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: N#CC(N=O)C(=O)OCC
2. InChI: InChI=1/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h4H,2H2,1H3
3. InChIKey: TVFCFJLTGCCYOZ-UHFFFAOYAV
4. Std. InChI: InChI=1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h4H,2H2,1H3
5. Std. InChIKey: TVFCFJLTGCCYOZ-UHFFFAOYSA-N