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| CAS No.: | 555-76-0 |
|---|---|
| Name: | Ferric formate |
| Molecular Structure: | |
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| Formula: | C3H3FeO6 |
| Molecular Weight: | 190.8973 |
| Synonyms: | Ferricformate;Iron triformate;Iron(III) formate; |
| EINECS: | 209-106-3 |
| Boiling Point: | 100.6 °C at 760 mmHg |
| Flash Point: | 29.9 °C |
| Solubility: | soluble H2O; slightly EtOH [CRC10] |
| PSA: | 78.90000 |
| LogP: | 0.77630 |
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Specification
The Ferric formate, with the CAS registry number 555-76-0, is also known as Formic acid, iron(3+) salt (3:1). And its EINECS registry number is 209-106-3. This chemical's molecular formula is C3H3FeO6 and molecular weight is 190.9. What's more, its IUPAC name is Iron(3+) triformate.
Physical properties about Ferric formate are: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.3; (4)ACD/LogD (pH 7.4): -3.94; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 29.9 °C; (14)Enthalpy of Vaporization: 22.69 kJ/mol; (15)Boiling Point: 100.6 °C at 760 mmHg; (16)Vapour Pressure: 36.5 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [Fe+3].[O-]C=O.[O-]C=O.[O-]C=O
(2) InChI: InChI=1/3CH2O2.Fe/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3
(3) InChIKey: WHRBSMVATPCWLU-DFZHHIFOAO