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54362-25-3

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Basic Information
CAS No.: 54362-25-3
Name: 2-Acetoxy-4-nitro-benzaldiacetate
Molecular Structure:
Molecular Structure of 54362-25-3 (2-Acetoxy-4-nitro-benzaldiacetate)
Formula: C13H13NO8
Molecular Weight: 311.248
Synonyms: [Acetoxy-(2-acetoxy-4-nitro-phenyl)methyl] acetate;
Density: 1.359 g/cm3
Boiling Point: 426.2 °C at 760 mmHg
Flash Point: 178.7 °C
PSA: 124.72000
LogP: 2.16810
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Specification

The CAS registry number of 2-Acetoxy-4-nitro-benzaldiacetate is 54362-25-3. The systematic name is [acetoxy-(2-acetoxy-4-nitro-phenyl)methyl] acetate. In addition, the molecular formula is C13H13NO8 and the molecular weight is 311.24. What's more, it is a kind of off-white powder and belongs to the class of Aromatics Compounds. And it should be stored in a cool and dry place.

Physical properties about 2-Acetoxy-4-nitro-benzaldiacetate are: (1)ACD/LogP: 1.22; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 1.22; (4)#H bond acceptors: 9; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 124.72 Å2; (7)Index of Refraction: 1.533; (8)Molar Refractivity: 71.13 cm3; (9)Molar Volume: 228.9 cm3; (10)Polarizability: 28.2 ×10-24cm3; (11)Surface Tension: 49.8 dyne/cm; (12)Density: 1.359 g/cm3; (13)Flash Point: 178.7 °C; (14)Enthalpy of Vaporization: 68.09 kJ/mol; (15)Boiling Point: 426.2 °C at 760 mmHg; (16)Vapour Pressure: 1.81E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Oc1cc(ccc1C(OC(=O)C)OC(=O)C)[N+](=O)[O-]
(2)InChI: InChI=1/C13H13NO8/c1-7(15)20-12-6-10(14(18)19)4-5-11(12)13(21-8(2)16)22-9(3)17/h4-6,13H,1-3H3
(3)InChIKey: QDNQRFYBDCYWBM-UHFFFAOYAM