molybdenum;4H-trioxine

C3H4MoO3 — CID 161427393

IUPACmolybdenum;4H-trioxine
SMILESC1=COOOC1.[Mo]
InChIInChI=1S/C3H4O3.Mo/c1-2-4-6-5-3-1;/h1-2H,3H2;
InChIKeyVXNWELFWPYYWQI-UHFFFAOYSA-N
MW184.00 g/mol
LogP0.39
Rot. Bonds

About molybdenum;4H-trioxine

molybdenum;4H-trioxine (PubChem CID 161427393) has the molecular formula C3H4MoO3 and a molecular weight of 184.00 g/mol. Its IUPAC name is molybdenum;4H-trioxine.

Molecular Properties

Compound Namemolybdenum;4H-trioxine
PubChem CID161427393
Molecular FormulaC3H4MoO3
Molecular Weight184.00 g/mol
Exact Mass185.92
IUPAC Namemolybdenum;4H-trioxine
SMILESC1=COOOC1.[Mo]
InChIInChI=1S/C3H4O3.Mo/c1-2-4-6-5-3-1;/h1-2H,3H2;
InChIKeyVXNWELFWPYYWQI-UHFFFAOYSA-N
XLogP0.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.00
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molybdenum;4H-trioxine?
The IUPAC name of molybdenum;4H-trioxine (CID 161427393) is molybdenum;4H-trioxine.
What is the SMILES notation for molybdenum;4H-trioxine?
The canonical SMILES for molybdenum;4H-trioxine is C1=COOOC1.[Mo].
What is the InChIKey of molybdenum;4H-trioxine?
The InChIKey is VXNWELFWPYYWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.Mo/c1-2-4-6-5-3-1;/h1-2H,3H2;.
What are the key properties of molybdenum;4H-trioxine?
molybdenum;4H-trioxine has a molecular weight of 184.00 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;4H-trioxine is sourced from PubChem (CID 161427393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).