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15784-35-7

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Basic Information
CAS No.: 15784-35-7
Name: (4-NITRO-1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID
Article Data: 12
Molecular Structure:
Molecular Structure of 15784-35-7 ((4-NITRO-1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID)
Formula: C10H5N2O6-
Molecular Weight: 250.167
Synonyms: 2-(4-nitro-1,3-dioxo-isoindol-2-yl)acetic acid;
Density: 1.706g/cm3
Boiling Point: 517.7 °C at 760 mmHg
Flash Point: 266.9 °C
Risk Codes: 36
Safety: 26
PSA: 120.50000
LogP: 0.73650
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Specification

The 2-(4-Nitro-1,3-dioxo-isoindol-2-yl)acetate is an organic compound with the formula C10H5N2O6-. The IUPAC name of this chemical is 2-(4-Nitro-1,3-dioxoisoindol-2-yl)acetate. With the CAS registry number 15784-35-7, it is also named as (4-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid. Besides, its molecular weight is 249.157.

Physical properties about 2-(4-Nitro-1,3-dioxo-isoindol-2-yl)acetate are: (1)ACD/LogP: 0.92; (2)ACD/LogD (pH 5.5): -1.14; (3)ACD/LogD (pH 7.4): -2.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 120.5 Å2; (12)Flash Point: 266.9 °C; (13)Enthalpy of Vaporization: 83.18 kJ/mol; (14)Boiling Point: 517.7 °C at 760 mmHg; (15)Vapour Pressure: 1.53E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H6N2O6/c13-7(14)4-11-9(15)5-2-1-3-6(12(17)18)8(5)10(11)16/h1-3H,4H2,(H,13,14)/p-1
(2)InChIKey: VEVGTTUIMHJYSO-REWHXWOFAL
(3)Std. InChI: InChI=1S/C10H6N2O6/c13-7(14)4-11-9(15)5-2-1-3-6(12(17)18)8(5)10(11)16/h1-3H,4H2,(H,13,14)/p-1
(4)Std. InChIKey: VEVGTTUIMHJYSO-UHFFFAOYSA-M