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| CAS No.: | 57336-69-3 |
|---|---|
| Name: | CYANO(METHOXYIMINO)ACETIC ACID |
| Molecular Structure: | |
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| Formula: | C4H4N2O3 |
| Molecular Weight: | 128.087 |
| Synonyms: | acetic acid, 2-cyano-2-(methoxyimino)-, (2E)-;(2E)-cyano(methoxyimino)ethanoic acid |
| Density: | 1.3 g/cm3 |
| Boiling Point: | 236.8 °C at 760 mmHg |
| Flash Point: | 97 °C |
| PSA: | 82.68000 |
| LogP: | -0.40302 |
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Specification
The Cyano(methoxyimino)acetic acid is an organic compound with the formula C4H4N2O3. The systematic name of this chemical is (2E)-cyano(methoxyimino)ethanoic acid. With the CAS registry number 57336-69-3, it is also named as acetic acid, 2-cyano-2-(methoxyimino)-, (2E)-.
Physical properties about Cyano(methoxyimino)acetic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 82.68 Å2; (9)Index of Refraction: 1.498; (10)Molar Refractivity: 28.85 cm3; (11)Molar Volume: 98.3 cm3; (12)Polarizability: 11.43×10-24cm3; (13)Surface Tension: 47.8 dyne/cm; (14)Density: 1.3 g/cm3; (15)Flash Point: 97 °C; (16)Enthalpy of Vaporization: 52.16 kJ/mol; (17)Boiling Point: 236.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(\C#N)=N\OC
(2)InChI: InChI=1/C4H4N2O3/c1-9-6-3(2-5)4(7)8/h1H3,(H,7,8)/b6-3+
(3)InChIKey: LWZMFXQOIDFKQJ-ZZXKWVIFBG
(4)Std. InChI: InChI=1S/C4H4N2O3/c1-9-6-3(2-5)4(7)8/h1H3,(H,7,8)/b6-3+
(5)Std. InChIKey: LWZMFXQOIDFKQJ-ZZXKWVIFSA-N