carbon monoxide;chromium;terephthalaldehyde

C11H6CrO5 — CID 11108406

IUPACcarbon monoxide;chromium;terephthalaldehyde
SMILESO=Cc1ccc(C=O)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C8H6O2.3CO.Cr/c9-5-7-1-2-8(6-10)4-3-7;3*1-2;/h1-6H;;;;
InChIKeyZANGGYYNSDYJOG-UHFFFAOYSA-N
MW270.16 g/mol
LogP1.20
Rot. Bonds2

About carbon monoxide;chromium;terephthalaldehyde

carbon monoxide;chromium;terephthalaldehyde (PubChem CID 11108406) has the molecular formula C11H6CrO5 and a molecular weight of 270.16 g/mol. Its IUPAC name is carbon monoxide;chromium;terephthalaldehyde.

Molecular Properties

Compound Namecarbon monoxide;chromium;terephthalaldehyde
PubChem CID11108406
Molecular FormulaC11H6CrO5
Molecular Weight270.16 g/mol
Exact Mass269.96
IUPAC Namecarbon monoxide;chromium;terephthalaldehyde
SMILESO=Cc1ccc(C=O)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C8H6O2.3CO.Cr/c9-5-7-1-2-8(6-10)4-3-7;3*1-2;/h1-6H;;;;
InChIKeyZANGGYYNSDYJOG-UHFFFAOYSA-N
XLogP1.20
TPSA93.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

benzene;terephthalaldehyde
CID 163498156
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
4-chlorobenzaldehyde
CID 7726
4-aminobenzaldehyde
CID 174906134
4-formylbenzonitrile;methane
CID 143070509
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
bis(4-bromobenzaldehyde);hydrate
CID 174866505
3-bromobenzaldehyde;carbon monoxide;chromium
CID 11001767
4-aminobenzaldehyde;ethene
CID 22154861
sodium;hydride;4-methylbenzaldehyde
CID 173013137
(4-formylphenyl)-methylideneoxidanium
CID 22960010
4-[(Z)-2-chloroethenyl]benzaldehyde
CID 177460651

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;terephthalaldehyde?
The IUPAC name of carbon monoxide;chromium;terephthalaldehyde (CID 11108406) is carbon monoxide;chromium;terephthalaldehyde.
What is the SMILES notation for carbon monoxide;chromium;terephthalaldehyde?
The canonical SMILES for carbon monoxide;chromium;terephthalaldehyde is O=Cc1ccc(C=O)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;terephthalaldehyde?
The InChIKey is ZANGGYYNSDYJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.3CO.Cr/c9-5-7-1-2-8(6-10)4-3-7;3*1-2;/h1-6H;;;;.
What are the key properties of carbon monoxide;chromium;terephthalaldehyde?
carbon monoxide;chromium;terephthalaldehyde has a molecular weight of 270.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;terephthalaldehyde is sourced from PubChem (CID 11108406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).