carbon monoxide;chromium;2-ethenylbenzaldehyde

C12H8CrO4 — CID 11140117

IUPACcarbon monoxide;chromium;2-ethenylbenzaldehyde
SMILESC=Cc1ccccc1C=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C9H8O.3CO.Cr/c1-2-8-5-3-4-6-9(8)7-10;3*1-2;/h2-7H,1H2;;;;
InChIKeyNTJRGTNLZQIUFH-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.03
Rot. Bonds2

About carbon monoxide;chromium;2-ethenylbenzaldehyde

carbon monoxide;chromium;2-ethenylbenzaldehyde (PubChem CID 11140117) has the molecular formula C12H8CrO4 and a molecular weight of 268.19 g/mol. Its IUPAC name is carbon monoxide;chromium;2-ethenylbenzaldehyde.

Molecular Properties

Compound Namecarbon monoxide;chromium;2-ethenylbenzaldehyde
PubChem CID11140117
Molecular FormulaC12H8CrO4
Molecular Weight268.19 g/mol
Exact Mass267.98
IUPAC Namecarbon monoxide;chromium;2-ethenylbenzaldehyde
SMILESC=Cc1ccccc1C=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C9H8O.3CO.Cr/c1-2-8-5-3-4-6-9(8)7-10;3*1-2;/h2-7H,1H2;;;;
InChIKeyNTJRGTNLZQIUFH-UHFFFAOYSA-N
XLogP2.03
TPSA76.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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;chromium;2-ethenylbenzaldehyde?
The IUPAC name of carbon monoxide;chromium;2-ethenylbenzaldehyde (CID 11140117) is carbon monoxide;chromium;2-ethenylbenzaldehyde.
What is the SMILES notation for carbon monoxide;chromium;2-ethenylbenzaldehyde?
The canonical SMILES for carbon monoxide;chromium;2-ethenylbenzaldehyde is C=Cc1ccccc1C=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;2-ethenylbenzaldehyde?
The InChIKey is NTJRGTNLZQIUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.3CO.Cr/c1-2-8-5-3-4-6-9(8)7-10;3*1-2;/h2-7H,1H2;;;;.
What are the key properties of carbon monoxide;chromium;2-ethenylbenzaldehyde?
carbon monoxide;chromium;2-ethenylbenzaldehyde has a molecular weight of 268.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;2-ethenylbenzaldehyde is sourced from PubChem (CID 11140117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).