manganese;trioxidanylmethane

CH4MnO3 — CID 58900855

IUPACmanganese;trioxidanylmethane
SMILESCOOO.[Mn]
InChIInChI=1S/CH4O3.Mn/c1-3-4-2;/h2H,1H3;
InChIKeyACDKROGOUNVWFK-UHFFFAOYSA-N
MW118.98 g/mol
LogP0.03
Rot. Bonds1

About manganese;trioxidanylmethane

manganese;trioxidanylmethane (PubChem CID 58900855) has the molecular formula CH4MnO3 and a molecular weight of 118.98 g/mol. Its IUPAC name is manganese;trioxidanylmethane.

Molecular Properties

Compound Namemanganese;trioxidanylmethane
PubChem CID58900855
Molecular FormulaCH4MnO3
Molecular Weight118.98 g/mol
Exact Mass118.95
IUPAC Namemanganese;trioxidanylmethane
SMILESCOOO.[Mn]
InChIInChI=1S/CH4O3.Mn/c1-3-4-2;/h2H,1H3;
InChIKeyACDKROGOUNVWFK-UHFFFAOYSA-N
XLogP0.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.98
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of manganese;trioxidanylmethane?
The IUPAC name of manganese;trioxidanylmethane (CID 58900855) is manganese;trioxidanylmethane.
What is the SMILES notation for manganese;trioxidanylmethane?
The canonical SMILES for manganese;trioxidanylmethane is COOO.[Mn].
What is the InChIKey of manganese;trioxidanylmethane?
The InChIKey is ACDKROGOUNVWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3.Mn/c1-3-4-2;/h2H,1H3;.
What are the key properties of manganese;trioxidanylmethane?
manganese;trioxidanylmethane has a molecular weight of 118.98 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;trioxidanylmethane is sourced from PubChem (CID 58900855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).