benzene-1,3-dicarbaldehyde;carbon monoxide;chromium

C11H6CrO5 — CID 11161539

IUPACbenzene-1,3-dicarbaldehyde;carbon monoxide;chromium
SMILESO=Cc1cccc(C=O)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C8H6O2.3CO.Cr/c9-5-7-2-1-3-8(4-7)6-10;3*1-2;/h1-6H;;;;
InChIKeyHPOXMTYZVBDMPD-UHFFFAOYSA-N
MW270.16 g/mol
LogP1.20
Rot. Bonds2

About benzene-1,3-dicarbaldehyde;carbon monoxide;chromium

benzene-1,3-dicarbaldehyde;carbon monoxide;chromium (PubChem CID 11161539) has the molecular formula C11H6CrO5 and a molecular weight of 270.16 g/mol. Its IUPAC name is benzene-1,3-dicarbaldehyde;carbon monoxide;chromium.

Molecular Properties

Compound Namebenzene-1,3-dicarbaldehyde;carbon monoxide;chromium
PubChem CID11161539
Molecular FormulaC11H6CrO5
Molecular Weight270.16 g/mol
Exact Mass269.96
IUPAC Namebenzene-1,3-dicarbaldehyde;carbon monoxide;chromium
SMILESO=Cc1cccc(C=O)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C8H6O2.3CO.Cr/c9-5-7-2-1-3-8(4-7)6-10;3*1-2;/h1-6H;;;;
InChIKeyHPOXMTYZVBDMPD-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

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benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)
CID 174923777
CID 134861589
CID 134861589
2-(3-formylphenyl)ethenylideneazanide
CID 139243021
3-(piperidin-4-ylidenemethyl)benzaldehyde
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3-[(1Z)-buta-1,3-dienyl]benzaldehyde
CID 45083985
3-bromobenzaldehyde;hydrobromide
CID 87841856
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 59310574
3-(3-bromoprop-1-enyl)benzaldehyde
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3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]benzaldehyde
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Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarbaldehyde;carbon monoxide;chromium?
The IUPAC name of benzene-1,3-dicarbaldehyde;carbon monoxide;chromium (CID 11161539) is benzene-1,3-dicarbaldehyde;carbon monoxide;chromium.
What is the SMILES notation for benzene-1,3-dicarbaldehyde;carbon monoxide;chromium?
The canonical SMILES for benzene-1,3-dicarbaldehyde;carbon monoxide;chromium is O=Cc1cccc(C=O)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of benzene-1,3-dicarbaldehyde;carbon monoxide;chromium?
The InChIKey is HPOXMTYZVBDMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.3CO.Cr/c9-5-7-2-1-3-8(4-7)6-10;3*1-2;/h1-6H;;;;.
What are the key properties of benzene-1,3-dicarbaldehyde;carbon monoxide;chromium?
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium 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 benzene-1,3-dicarbaldehyde;carbon monoxide;chromium is sourced from PubChem (CID 11161539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).