carbonoperoxoic acid;iron

CH2FeO4 — CID 87244357

IUPACcarbonoperoxoic acid;iron
SMILESO=C(O)OO.[Fe]
InChIInChI=1S/CH2O4.Fe/c2-1(3)5-4;/h4H,(H,2,3);
InChIKeyHKBPXHQGNXQQMM-UHFFFAOYSA-N
MW133.87 g/mol
LogP0.15
Rot. Bonds

About carbonoperoxoic acid;iron

carbonoperoxoic acid;iron (PubChem CID 87244357) has the molecular formula CH2FeO4 and a molecular weight of 133.87 g/mol. Its IUPAC name is carbonoperoxoic acid;iron.

Molecular Properties

Compound Namecarbonoperoxoic acid;iron
PubChem CID87244357
Molecular FormulaCH2FeO4
Molecular Weight133.87 g/mol
Exact Mass133.93
IUPAC Namecarbonoperoxoic acid;iron
SMILESO=C(O)OO.[Fe]
InChIInChI=1S/CH2O4.Fe/c2-1(3)5-4;/h4H,(H,2,3);
InChIKeyHKBPXHQGNXQQMM-UHFFFAOYSA-N
XLogP0.15
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.87
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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carbonic acid;carbonoperoxoic acid
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heptasodium;carbonoperoxoic acid;hydride
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CID 129093967
magnesium;alumane;carbonoperoxoic acid;hydride;molecular hydrogen
CID 173302094
carbonoperoxoic acid;prop-1-ene
CID 134330161
carbonoperoxoic acid;phthalic acid
CID 87562877
CID 24916756
CID 24916756
carbonic acid;ruthenium
CID 87059075
CID 87914499
CID 87914499
carboxyoxy hydrogen carbonate;neodymium
CID 174688278
hydroxy carbonobromidate
CID 88553867

Frequently Asked Questions

What is the IUPAC name of carbonoperoxoic acid;iron?
The IUPAC name of carbonoperoxoic acid;iron (CID 87244357) is carbonoperoxoic acid;iron.
What is the SMILES notation for carbonoperoxoic acid;iron?
The canonical SMILES for carbonoperoxoic acid;iron is O=C(O)OO.[Fe].
What is the InChIKey of carbonoperoxoic acid;iron?
The InChIKey is HKBPXHQGNXQQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O4.Fe/c2-1(3)5-4;/h4H,(H,2,3);.
What are the key properties of carbonoperoxoic acid;iron?
carbonoperoxoic acid;iron has a molecular weight of 133.87 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonoperoxoic acid;iron is sourced from PubChem (CID 87244357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).