carbon monoxide;molybdenum;toluene

C10H8MoO3 — CID 11821735

IUPACcarbon monoxide;molybdenum;toluene
SMILESCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/C7H8.3CO.Mo/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;;;;
InChIKeyKFZRCLKJENBBAF-UHFFFAOYSA-N
MW272.11 g/mol
LogP1.88
Rot. Bonds

About carbon monoxide;molybdenum;toluene

carbon monoxide;molybdenum;toluene (PubChem CID 11821735) has the molecular formula C10H8MoO3 and a molecular weight of 272.11 g/mol. Its IUPAC name is carbon monoxide;molybdenum;toluene.

Molecular Properties

Compound Namecarbon monoxide;molybdenum;toluene
PubChem CID11821735
Molecular FormulaC10H8MoO3
Molecular Weight272.11 g/mol
Exact Mass273.95
IUPAC Namecarbon monoxide;molybdenum;toluene
SMILESCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo]
InChIInChI=1S/C7H8.3CO.Mo/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;;;;
InChIKeyKFZRCLKJENBBAF-UHFFFAOYSA-N
XLogP1.88
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 51.88
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 carbon monoxide;molybdenum;toluene?
The IUPAC name of carbon monoxide;molybdenum;toluene (CID 11821735) is carbon monoxide;molybdenum;toluene.
What is the SMILES notation for carbon monoxide;molybdenum;toluene?
The canonical SMILES for carbon monoxide;molybdenum;toluene is Cc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].
What is the InChIKey of carbon monoxide;molybdenum;toluene?
The InChIKey is KFZRCLKJENBBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3CO.Mo/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;;;;.
What are the key properties of carbon monoxide;molybdenum;toluene?
carbon monoxide;molybdenum;toluene has a molecular weight of 272.11 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;molybdenum;toluene is sourced from PubChem (CID 11821735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).