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| CAS No.: | 65894-76-0 |
|---|---|
| Name: | 1-Phenyl-1,2-propanedione-2-(O-ethoxycarboxy)oxime |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C12H13NO4 |
| Molecular Weight: | 235.24 |
| Synonyms: | QuantacurePDO; |
| EINECS: | 265-967-5 |
| Density: | 1.13 g/cm3 |
| Boiling Point: | 322.7 °C at 760 mmHg |
| Flash Point: | 136.7 °C |
| Solubility: | 128mg/L at 20℃ |
| PSA: | 64.96000 |
| LogP: | 2.41830 |
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Specification
The cas register number of 1-Phenyl-1,2-propanedione-2-(O-ethoxycarboxy)oxime is 65894-76-0. It also can be called as O-(Ethoxycarbonyl)-N-(1-methyl-2-oxo-2-phenylethylidene)hydroxylamine and the IUPAC Name about this chemical is ethyl [(E)-(1-oxo-1-phenylpropan-2-ylidene)amino] carbonate.
Physical properties about 1-Phenyl-1,2-propanedione-2-(O-ethoxycarboxy)oxime are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 43; (5)ACD/BCF (pH 7.4): 43; (6)ACD/KOC (pH 5.5): 518; (7)ACD/KOC (pH 7.4): 518; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 64.96Å2; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 62.465 cm3; (13)Molar Volume: 207.837 cm3; (14)Polarizability: 24.763x10-24cm3; (15)Surface Tension: 38.367 dyne/cm; (16)Enthalpy of Vaporization: 56.455 kJ/mol; (17)Boiling Point: 322.677 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C(=N\OC(=O)OCC)C)c1ccccc1
(2)InChI: InChI=1/C12H13NO4/c1-3-16-12(15)17-13-9(2)11(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/b13-9+
(3)InChIKey: YDMWUMUNUXUYKT-UKTHLTGXBH
(4)Std. InChI: InChI=1S/C12H13NO4/c1-3-16-12(15)17-13-9(2)11(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/b13-9+
(5)Std. InChIKey: YDMWUMUNUXUYKT-UKTHLTGXSA-N