carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium

C11H6CrO7 — CID 14235188

IUPACcarbon monoxide;[furan-3-yl(methoxy)methylidene]chromium
SMILESCOC(=[Cr])c1ccoc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C6H6O2.5CO.Cr/c1-7-4-6-2-3-8-5-6;5*1-2;/h2-3,5H,1H3;;;;;;
InChIKeyCQFZUKGYTBMZCZ-UHFFFAOYSA-N
MW302.16 g/mol
LogP0.76
Rot. Bonds2

About carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium

carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium (PubChem CID 14235188) has the molecular formula C11H6CrO7 and a molecular weight of 302.16 g/mol. Its IUPAC name is carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[furan-3-yl(methoxy)methylidene]chromium
PubChem CID14235188
Molecular FormulaC11H6CrO7
Molecular Weight302.16 g/mol
Exact Mass301.95
IUPAC Namecarbon monoxide;[furan-3-yl(methoxy)methylidene]chromium
SMILESCOC(=[Cr])c1ccoc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C6H6O2.5CO.Cr/c1-7-4-6-2-3-8-5-6;5*1-2;/h2-3,5H,1H3;;;;;;
InChIKeyCQFZUKGYTBMZCZ-UHFFFAOYSA-N
XLogP0.76
TPSA121.87 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;[furan-3-yl(methoxy)methylidene]chromium?
The IUPAC name of carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium (CID 14235188) is carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium.
What is the SMILES notation for carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium?
The canonical SMILES for carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium is COC(=[Cr])c1ccoc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium?
The InChIKey is CQFZUKGYTBMZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.5CO.Cr/c1-7-4-6-2-3-8-5-6;5*1-2;/h2-3,5H,1H3;;;;;;.
What are the key properties of carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium?
carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium has a molecular weight of 302.16 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[furan-3-yl(methoxy)methylidene]chromium is sourced from PubChem (CID 14235188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).