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466-84-2

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Basic Information
CAS No.: 466-84-2
Name: 4-Nitrophthalic anhydride
Molecular Structure:
Molecular Structure of 466-84-2 (4-Nitrophthalic anhydride)
Formula: C8H3NO5
Molecular Weight: 193.1131
Synonyms: 2,3-Dimethoxy-9,10-seco-12β,13β-strychnidin-10-saeure;4-NITROPHTHALIC ACID ANHYDRIDE;4-NITROPHTHALIC ANHYDRIDE;
Density: 1.687 g/cm3
Boiling Point: 396.5 °C at 760 mmHg
Flash Point: 217.8 °C
PSA: 80.26000
LogP: 2.33550
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Specification

The 4-Nitrophthalic acid anhydride, with the CAS registry number of 466-84-2, is also known as 1,3-Isobenzofurandione, 5-nitro-. Its molecular formula is C8H3NO5 and molecular weight is 193.1131. What's more, its systematic name is 5-Nitro-2-benzofuran-1,3-dione.

Physical properties about the 4-Nitrophthalic acid anhydride are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 89.19 Å2; (7)Index of Refraction: 1.659 ; (8)Molar Refractivity: 42.22 cm3; (9)Molar Volume: 114.4 cm3; (10)Surface Tension: 78.1 dyne/cm; (11)Density: 1.687 g/cm3; (12)Flash Point: 217.8 °C; (13)Enthalpy of Vaporization: 64.68 kJ/mol; (14)Boiling Point: 396.5 °C at 760 mmHg; (15)Vapour Pressure: 1.7E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1
(2) InChI: InChI=1/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H
(3) InChIKey: MMVIDXVHQANYAE-UHFFFAOYAV