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58032-65-8

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Basic Information
CAS No.: 58032-65-8
Name: CITRIC ACID ANHYDRIDE ACETATE
Molecular Structure:
Molecular Structure of 58032-65-8 (CITRIC ACID ANHYDRIDE ACETATE)
Formula: C8H8O7
Molecular Weight: 216.1449
Synonyms: CITRIC ACID ANHYDRIDE ACETATE
Density: 1.52 g/cm3
Melting Point: 120-123 °C
Boiling Point: 451.4 °C at 760 mmHg
Flash Point: 187.6 °C
PSA: 106.97000
LogP: -0.76350
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Specification

This chemical is called 2-(3-Acetyloxy-2,5-dioxo-oxolan-3-yl)acetic acid, and its systematic name is [3-(acetyloxy)-2,5-dioxotetrahydrofuran-3-yl]acetic acid. With the molecular formula of C8H8O7, its molecular weight is 216.1449. The CAS registry number of this chemical is 58032-65-8.

Other characteristics of the 2-(3-Acetyloxy-2,5-dioxo-oxolan-3-yl)acetic acid can be summarised as followings: (1)ACD/LogP: -1.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 95.97 Å2; (7)Index of Refraction: 1.513; (8)Molar Refractivity: 42.53 cm3; (9)Molar Volume: 141.3 cm3; (10)Polarizability: 16.86×10-24cm3; (11)Surface Tension: 61.2 dyne/cm; (12)Density: 1.52 g/cm3; (13)Flash Point: 187.6 °C; (14)Enthalpy of Vaporization: 77.87 kJ/mol; (15)Boiling Point: 451.4 °C at 760 mmHg; (16)Vapour Pressure: 2.09E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC1(C(=O)OC(=O)C1)CC(=O)O)C
2.InChI: InChI=1/C8H8O7/c1-4(9)15-8(2-5(10)11)3-6(12)14-7(8)13/h2-3H2,1H3,(H,10,11)
3.InChIKey: NZWRMXCRZDAECH-UHFFFAOYAJ