carboxylato carbonate;iron(3+)

C2FeO5+ — CID 172818813

IUPACcarboxylato carbonate;iron(3+)
SMILESO=C([O-])OC(=O)[O-].[Fe+3]
InChIInChI=1S/C2H2O5.Fe/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+3/p-2
InChIKeyTYDSDILLHHVPLZ-UHFFFAOYSA-L
MW159.86 g/mol
LogP-2.31
Rot. Bonds

About carboxylato carbonate;iron(3+)

carboxylato carbonate;iron(3+) (PubChem CID 172818813) has the molecular formula C2FeO5+ and a molecular weight of 159.86 g/mol. Its IUPAC name is carboxylato carbonate;iron(3+).

Molecular Properties

Compound Namecarboxylato carbonate;iron(3+)
PubChem CID172818813
Molecular FormulaC2FeO5+
Molecular Weight159.86 g/mol
Exact Mass159.91
IUPAC Namecarboxylato carbonate;iron(3+)
SMILESO=C([O-])OC(=O)[O-].[Fe+3]
InChIInChI=1S/C2H2O5.Fe/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+3/p-2
InChIKeyTYDSDILLHHVPLZ-UHFFFAOYSA-L
XLogP-2.31
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.86
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

carboxylato carbonate;thorium(2+)
CID 21149383
carboxylato carbonate;bis(samarium(3+))
CID 160687962
magnesium carboxylato carbonate
CID 87890039
carboxylatooxycarbonyl carbonate;bis(gadolinium(3+))
CID 170843196
cesium;potassium;carboxylatooxycarbonyl carbonate
CID 174165319
trisodium;carboxy carbonate;dihydrate
CID 140596091
calcium;ruthenium;carbonate
CID 87309849
iron(3+);oxalate
CID 165359506
diazanium;oxido carbonate
CID 22665386
calcium bromo carbonate
CID 142761680
lithium phosphanyl carbonate
CID 174883417
lithium fluoro carbonate
CID 175046605

Frequently Asked Questions

What is the IUPAC name of carboxylato carbonate;iron(3+)?
The IUPAC name of carboxylato carbonate;iron(3+) (CID 172818813) is carboxylato carbonate;iron(3+).
What is the SMILES notation for carboxylato carbonate;iron(3+)?
The canonical SMILES for carboxylato carbonate;iron(3+) is O=C([O-])OC(=O)[O-].[Fe+3].
What is the InChIKey of carboxylato carbonate;iron(3+)?
The InChIKey is TYDSDILLHHVPLZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O5.Fe/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);/q;+3/p-2.
What are the key properties of carboxylato carbonate;iron(3+)?
carboxylato carbonate;iron(3+) has a molecular weight of 159.86 g/mol, XLogP of -2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carboxylato carbonate;iron(3+) is sourced from PubChem (CID 172818813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).