1-benzofuran;carbon monoxide;chromium

C11H6CrO4 — CID 134899025

IUPAC1-benzofuran;carbon monoxide;chromium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].c1ccc2occc2c1
InChIInChI=1S/C8H6O.3CO.Cr/c1-2-4-8-7(3-1)5-6-9-8;3*1-2;/h1-6H;;;;
InChIKeyOGINUNKAGKGJAA-UHFFFAOYSA-N
MW254.16 g/mol
LogP2.32
Rot. Bonds

About 1-benzofuran;carbon monoxide;chromium

1-benzofuran;carbon monoxide;chromium (PubChem CID 134899025) has the molecular formula C11H6CrO4 and a molecular weight of 254.16 g/mol. Its IUPAC name is 1-benzofuran;carbon monoxide;chromium.

Molecular Properties

Compound Name1-benzofuran;carbon monoxide;chromium
PubChem CID134899025
Molecular FormulaC11H6CrO4
Molecular Weight254.16 g/mol
Exact Mass253.97
IUPAC Name1-benzofuran;carbon monoxide;chromium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].c1ccc2occc2c1
InChIInChI=1S/C8H6O.3CO.Cr/c1-2-4-8-7(3-1)5-6-9-8;3*1-2;/h1-6H;;;;
InChIKeyOGINUNKAGKGJAA-UHFFFAOYSA-N
XLogP2.32
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

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1-benzofuran;2-benzothiophene
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1-benzofuran;sulfamic acid
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3-tritio-1-benzofuran
CID 140580560
1-benzofuran;oxaldehydic acid
CID 20511979
1-benzofuran;1-chloro-4-phenylbenzene
CID 175596576
bis(1-benzofuran);naphthalen-1-ol
CID 175560201
1-benzofuran;1H-indazole
CID 121363040
1-benzofuran;heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
CID 87839224

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;carbon monoxide;chromium?
The IUPAC name of 1-benzofuran;carbon monoxide;chromium (CID 134899025) is 1-benzofuran;carbon monoxide;chromium.
What is the SMILES notation for 1-benzofuran;carbon monoxide;chromium?
The canonical SMILES for 1-benzofuran;carbon monoxide;chromium is [C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;carbon monoxide;chromium?
The InChIKey is OGINUNKAGKGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.3CO.Cr/c1-2-4-8-7(3-1)5-6-9-8;3*1-2;/h1-6H;;;;.
What are the key properties of 1-benzofuran;carbon monoxide;chromium?
1-benzofuran;carbon monoxide;chromium has a molecular weight of 254.16 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;carbon monoxide;chromium is sourced from PubChem (CID 134899025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).