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15728-05-9

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Basic Information
CAS No.: 15728-05-9
Name: 3-(4-NITRO-1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 15728-05-9 (3-(4-NITRO-1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONIC ACID)
Formula: C11H7N2O6-
Molecular Weight: 263.1836
Synonyms: 2H-Isoindole-2-propanoic acid, 1,3-dihydro-4-nitro-1,3-dioxo-; 3-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid; 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Density: 1.619g/cm3
Boiling Point: 522.5 °C at 760 mmHg
Flash Point: 269.8 °C
PSA: 123.33000
LogP: -0.20810
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    3-(4-NITRO-1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPANOIC ACIDAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 3-(4-Nitro-1,3-dioxo-isoindol-2-yl)propanoate is an organic compound with the formula C11H7N2O6-. The systematic name of this chemical is 3-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate. The CAS registry number of this chemical is 15728-05-9. Besides, its molecular weight is 263.1836.

Physical properties about 3-(4-Nitro-1,3-dioxo-isoindol-2-yl)propanoate are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): -0.21; (3)ACD/LogD (pH 7.4): -1.98; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.72; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 120.5 Å2; (12)Flash Point: 269.8 °C; (13)Enthalpy of Vaporization: 83.79 kJ/mol; (14)Boiling Point: 522.5 °C at 760 mmHg; (15)Vapour Pressure: 9.63E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H8N2O6/c14-8(15)4-5-12-10(16)6-2-1-3-7(13(18)19)9(6)11(12)17/h1-3H,4-5H2,(H,14,15)/p-1
(2)InChIKey: PGIXCCWHKPRJEG-REWHXWOFAD
(3)Std. InChI: InChI=1S/C11H8N2O6/c14-8(15)4-5-12-10(16)6-2-1-3-7(13(18)19)9(6)11(12)17/h1-3H,4-5H2,(H,14,15)/p-1
(4)Std. InChIKey: PGIXCCWHKPRJEG-UHFFFAOYSA-M