iron(2+) carbonate

CFeO3 — CID 11248

IUPACiron(2+) carbonate
SMILESO=C([O-])[O-].[Fe+2]
InChIInChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
InChIKeyRAQDACVRFCEPDA-UHFFFAOYSA-L
MW115.85 g/mol
LogP-2.45
Rot. Bonds

About iron(2+) carbonate

iron(2+) carbonate (PubChem CID 11248) has the molecular formula CFeO3 and a molecular weight of 115.85 g/mol. Its IUPAC name is iron(2+) carbonate.

Molecular Properties

Compound Nameiron(2+) carbonate
PubChem CID11248
Molecular FormulaCFeO3
Molecular Weight115.85 g/mol
Exact Mass115.92
IUPAC Nameiron(2+) carbonate
SMILESO=C([O-])[O-].[Fe+2]
InChIInChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
InChIKeyRAQDACVRFCEPDA-UHFFFAOYSA-L
XLogP-2.45
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.85
LogP ≤ 5-2.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbon Dioxide
CID 280
Carbonate Ion
CID 19660
Hydron;carbonate
CID 22639876
((13)C)carbon dioxide
CID 10129882
Carbon dioxide-18O2
CID 12130228
Methane(~17~O_2_)dione
CID 12415844
Oxidooxomethyl
CID 6857677
Carbon-14C dioxide
CID 119388
Carbon trioxide
CID 520883
(111C)methanedione
CID 10197607
Iron oxide carbon
CID 129642682
Siderite, magnesian ((Fe0.5-0.9Mg0.1-0.5)(CO3))
CID 19858540

Frequently Asked Questions

What is the IUPAC name of iron(2+) carbonate?
The IUPAC name of iron(2+) carbonate (CID 11248) is iron(2+) carbonate.
What is the SMILES notation for iron(2+) carbonate?
The canonical SMILES for iron(2+) carbonate is O=C([O-])[O-].[Fe+2].
What is the InChIKey of iron(2+) carbonate?
The InChIKey is RAQDACVRFCEPDA-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2.
What are the key properties of iron(2+) carbonate?
iron(2+) carbonate has a molecular weight of 115.85 g/mol, XLogP of -2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+) carbonate is sourced from PubChem (CID 11248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).