acetic acid;palladium;phenoxybenzene

C14H13O3Pd- — CID 174986322

IUPACacetic acid;palladium;phenoxybenzene
SMILESCC(=O)O.[Pd].[c-]1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H9O.C2H4O2.Pd/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2(3)4;/h1,3-10H;1H3,(H,3,4);/q-1;;
InChIKeyKHUOKDVWLIPNFX-UHFFFAOYSA-N
MW335.68 g/mol
LogP3.37
Rot. Bonds2

About acetic acid;palladium;phenoxybenzene

acetic acid;palladium;phenoxybenzene (PubChem CID 174986322) has the molecular formula C14H13O3Pd- and a molecular weight of 335.68 g/mol. Its IUPAC name is acetic acid;palladium;phenoxybenzene.

Molecular Properties

Compound Nameacetic acid;palladium;phenoxybenzene
PubChem CID174986322
Molecular FormulaC14H13O3Pd-
Molecular Weight335.68 g/mol
Exact Mass334.99
IUPAC Nameacetic acid;palladium;phenoxybenzene
SMILESCC(=O)O.[Pd].[c-]1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H9O.C2H4O2.Pd/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2(3)4;/h1,3-10H;1H3,(H,3,4);/q-1;;
InChIKeyKHUOKDVWLIPNFX-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.68
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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iron;phenoxybenzene
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CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
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Frequently Asked Questions

What is the IUPAC name of acetic acid;palladium;phenoxybenzene?
The IUPAC name of acetic acid;palladium;phenoxybenzene (CID 174986322) is acetic acid;palladium;phenoxybenzene.
What is the SMILES notation for acetic acid;palladium;phenoxybenzene?
The canonical SMILES for acetic acid;palladium;phenoxybenzene is CC(=O)O.[Pd].[c-]1ccc(Oc2ccccc2)cc1.
What is the InChIKey of acetic acid;palladium;phenoxybenzene?
The InChIKey is KHUOKDVWLIPNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O.C2H4O2.Pd/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2(3)4;/h1,3-10H;1H3,(H,3,4);/q-1;;.
What are the key properties of acetic acid;palladium;phenoxybenzene?
acetic acid;palladium;phenoxybenzene has a molecular weight of 335.68 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;palladium;phenoxybenzene is sourced from PubChem (CID 174986322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).