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1,2-Propanedione,1-phenyl-, 2-[O-(ethoxycarbonyl)oxime] (65894-76-0)

Identification
Name:1,2-Propanedione,1-phenyl-, 2-[O-(ethoxycarbonyl)oxime]
Synonyms:QuantacurePDO;
CAS:65894-76-0
EINECS: 265-967-5
Molecular Formula: C12H13NO4
Molecular Weight: 235.2359
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
Molecular Structure: (C12H13NO4) QuantacurePDO;
Properties
Density:1.13 g/cm3
Refractive index:1.512
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

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