benzene;carbon monoxide;chromium

C9H6CrO3 — CID 10954891

IUPACbenzene;carbon monoxide;chromium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].c1ccccc1
InChIInChI=1S/C6H6.3CO.Cr/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;;
InChIKeyWVSBQYMJNMJHIM-UHFFFAOYSA-N
MW214.14 g/mol
LogP1.57
Rot. Bonds

About benzene;carbon monoxide;chromium

benzene;carbon monoxide;chromium (PubChem CID 10954891) has the molecular formula C9H6CrO3 and a molecular weight of 214.14 g/mol. Its IUPAC name is benzene;carbon monoxide;chromium.

Molecular Properties

Compound Namebenzene;carbon monoxide;chromium
PubChem CID10954891
Molecular FormulaC9H6CrO3
Molecular Weight214.14 g/mol
Exact Mass213.97
IUPAC Namebenzene;carbon monoxide;chromium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].c1ccccc1
InChIInChI=1S/C6H6.3CO.Cr/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;;
InChIKeyWVSBQYMJNMJHIM-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 ≤ 500214.14
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;chromium?
The IUPAC name of benzene;carbon monoxide;chromium (CID 10954891) is benzene;carbon monoxide;chromium.
What is the SMILES notation for benzene;carbon monoxide;chromium?
The canonical SMILES for benzene;carbon monoxide;chromium is [C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].c1ccccc1.
What is the InChIKey of benzene;carbon monoxide;chromium?
The InChIKey is WVSBQYMJNMJHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.3CO.Cr/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;;.
What are the key properties of benzene;carbon monoxide;chromium?
benzene;carbon monoxide;chromium has a molecular weight of 214.14 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;chromium is sourced from PubChem (CID 10954891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).