acetic acid;iron(3+);triacetate

C8H13FeO8 — CID 175778067

IUPACacetic acid;iron(3+);triacetate
SMILESCC(=O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Fe+3]
InChIInChI=1S/4C2H4O2.Fe/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeySETUWLKRDZIGLI-UHFFFAOYSA-K
MW293.03 g/mol
LogP-3.64
Rot. Bonds

About acetic acid;iron(3+);triacetate

acetic acid;iron(3+);triacetate (PubChem CID 175778067) has the molecular formula C8H13FeO8 and a molecular weight of 293.03 g/mol. Its IUPAC name is acetic acid;iron(3+);triacetate.

Molecular Properties

Compound Nameacetic acid;iron(3+);triacetate
PubChem CID175778067
Molecular FormulaC8H13FeO8
Molecular Weight293.03 g/mol
Exact Mass293.00
IUPAC Nameacetic acid;iron(3+);triacetate
SMILESCC(=O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Fe+3]
InChIInChI=1S/4C2H4O2.Fe/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeySETUWLKRDZIGLI-UHFFFAOYSA-K
XLogP-3.64
TPSA157.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.03
LogP ≤ 5-3.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cesium;acetic acid;acetate
CID 175712747
dipotassium;acetic acid;diacetate
CID 158588749
disodium;acetic acid;diacetate
CID 173429672
acetic acid;yttrium(3+);triacetate
CID 175880904
tetrasodium;acetic acid;tetraacetate
CID 175423347
sodium;acetic acid;acetate
CID 173223990
acetic acid;nickel(2+);diacetate
CID 159615318
disodium;acetic acid;diacetate;dihydrate
CID 157440241
potassium;acetic acid;phosphane;acetate
CID 172706632
lithium;acetic acid;palladium;acetate
CID 154700306
potassium;sodium;acetic acid;azane;diacetate
CID 174405846
calcium;hydrogen carbonate;acetate
CID 138401342

Frequently Asked Questions

What is the IUPAC name of acetic acid;iron(3+);triacetate?
The IUPAC name of acetic acid;iron(3+);triacetate (CID 175778067) is acetic acid;iron(3+);triacetate.
What is the SMILES notation for acetic acid;iron(3+);triacetate?
The canonical SMILES for acetic acid;iron(3+);triacetate is CC(=O)O.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Fe+3].
What is the InChIKey of acetic acid;iron(3+);triacetate?
The InChIKey is SETUWLKRDZIGLI-UHFFFAOYSA-K. The full InChI is InChI=1S/4C2H4O2.Fe/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+3/p-3.
What are the key properties of acetic acid;iron(3+);triacetate?
acetic acid;iron(3+);triacetate has a molecular weight of 293.03 g/mol, XLogP of -3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;iron(3+);triacetate is sourced from PubChem (CID 175778067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).