hydroxymethanone;iron

C8H8FeO16-8 — CID 141099450

IUPAChydroxymethanone;iron
SMILESO=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.[Fe]
InChIInChI=1S/8CHO2.Fe/c8*2-1-3;/h8*(H,2,3);/q8*-1;
InChIKeySALGYLZPNWPIHR-UHFFFAOYSA-N
MW415.98 g/mol
LogP-3.11
Rot. Bonds

About hydroxymethanone;iron

hydroxymethanone;iron (PubChem CID 141099450) has the molecular formula C8H8FeO16-8 and a molecular weight of 415.98 g/mol. Its IUPAC name is hydroxymethanone;iron.

Molecular Properties

Compound Namehydroxymethanone;iron
PubChem CID141099450
Molecular FormulaC8H8FeO16-8
Molecular Weight415.98 g/mol
Exact Mass415.92
IUPAC Namehydroxymethanone;iron
SMILESO=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.[Fe]
InChIInChI=1S/8CHO2.Fe/c8*2-1-3;/h8*(H,2,3);/q8*-1;
InChIKeySALGYLZPNWPIHR-UHFFFAOYSA-N
XLogP-3.11
TPSA298.40 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.98
LogP ≤ 5-3.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxymethanone;iron?
The IUPAC name of hydroxymethanone;iron (CID 141099450) is hydroxymethanone;iron.
What is the SMILES notation for hydroxymethanone;iron?
The canonical SMILES for hydroxymethanone;iron is O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.[Fe].
What is the InChIKey of hydroxymethanone;iron?
The InChIKey is SALGYLZPNWPIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/8CHO2.Fe/c8*2-1-3;/h8*(H,2,3);/q8*-1;.
What are the key properties of hydroxymethanone;iron?
hydroxymethanone;iron has a molecular weight of 415.98 g/mol, XLogP of -3.11, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanone;iron is sourced from PubChem (CID 141099450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).