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2944-66-3

Basic Information
CAS No.: 2944-66-3
Name: Ferric oxalate
Molecular Structure:
Molecular Structure of 2944-66-3 (Ferric oxalate)
Formula: C6Fe2O12
Molecular Weight: 465.83
Synonyms: Iron,[m-[ethanedioato(2-)-O,O''':O',O'']]bis[ethanedioato(2-)-O,O']di-;Oxalic acid, iron(3+) salt (3:2) (8CI);Ferric oxalate;Iron oxalate(Fe2(C2O4)3);Iron(III) oxalate;Iron, tris[ethanedioato(2-)]di-;Sanodal Gold4N;
EINECS: 220-951-7
Boiling Point: 365.1 °C at 760 mmHg
Flash Point: 188.8 °C
PSA: 240.78000
LogP: -10.54640
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Specification

The Ferric oxalate, with cas registry number 2944-66-3, has the systematic name of iron(3+) ethanedioate (2:3). And its IUPAC name is iron(3+); oxalate. Besides this, it is also called ethanedioic acid, iron(3+) salt (3:2). What's more, its other registry number is 10112-45-5.

Physical properties about this chemical are: (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.7; (4)ACD/LogD (pH 7.4): -5.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.6 Å2; (13)Enthalpy of Vaporization: 67.15 kJ/mol; (14)Vapour Pressure: 2.51E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Fe+3].[Fe+3].O=C([O-])C([O-])=O.[O-]C(=O)C([O-])=O.[O-]C(=O)C([O-])=O
(2)InChI: InChI=1/3C2H2O4.2Fe/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
(3)InChIKey: VEPSWGHMGZQCIN-CYFPFDDLAW
(4)Std. InChI: InChI=1S/3C2H2O4.2Fe/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
(5)Std. InChIKey: VEPSWGHMGZQCIN-UHFFFAOYSA-H