benzene;carbon monoxide;molybdenum

C9H6MoO3 — CID 11459568

IUPACbenzene;carbon monoxide;molybdenum
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccccc1
InChIInChI=1S/C6H6.3CO.Mo/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;;
InChIKeyLJOVZMIUQXPXEN-UHFFFAOYSA-N
MW258.08 g/mol
LogP1.57
Rot. Bonds

About benzene;carbon monoxide;molybdenum

benzene;carbon monoxide;molybdenum (PubChem CID 11459568) has the molecular formula C9H6MoO3 and a molecular weight of 258.08 g/mol. Its IUPAC name is benzene;carbon monoxide;molybdenum.

Molecular Properties

Compound Namebenzene;carbon monoxide;molybdenum
PubChem CID11459568
Molecular FormulaC9H6MoO3
Molecular Weight258.08 g/mol
Exact Mass259.94
IUPAC Namebenzene;carbon monoxide;molybdenum
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccccc1
InChIInChI=1S/C6H6.3CO.Mo/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;;
InChIKeyLJOVZMIUQXPXEN-UHFFFAOYSA-N
XLogP1.57
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;carbon monoxide;molybdenum?
The IUPAC name of benzene;carbon monoxide;molybdenum (CID 11459568) is benzene;carbon monoxide;molybdenum.
What is the SMILES notation for benzene;carbon monoxide;molybdenum?
The canonical SMILES for benzene;carbon monoxide;molybdenum is [C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccccc1.
What is the InChIKey of benzene;carbon monoxide;molybdenum?
The InChIKey is LJOVZMIUQXPXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.3CO.Mo/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;;.
What are the key properties of benzene;carbon monoxide;molybdenum?
benzene;carbon monoxide;molybdenum has a molecular weight of 258.08 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbon monoxide;molybdenum is sourced from PubChem (CID 11459568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).