acetic acid;oxomethyl acetate;palladium

C5H7O5Pd- — CID 22888556

IUPACacetic acid;oxomethyl acetate;palladium
SMILESCC(=O)O.CC(=O)O[C-]=O.[Pd]
InChIInChI=1S/C3H3O3.C2H4O2.Pd/c1-3(5)6-2-4;1-2(3)4;/h1H3;1H3,(H,3,4);/q-1;;
InChIKeyDAQNBNYCZJCBML-UHFFFAOYSA-N
MW253.53 g/mol
LogP-0.29
Rot. Bonds1

About acetic acid;oxomethyl acetate;palladium

acetic acid;oxomethyl acetate;palladium (PubChem CID 22888556) has the molecular formula C5H7O5Pd- and a molecular weight of 253.53 g/mol. Its IUPAC name is acetic acid;oxomethyl acetate;palladium.

Molecular Properties

Compound Nameacetic acid;oxomethyl acetate;palladium
PubChem CID22888556
Molecular FormulaC5H7O5Pd-
Molecular Weight253.53 g/mol
Exact Mass252.93
IUPAC Nameacetic acid;oxomethyl acetate;palladium
SMILESCC(=O)O.CC(=O)O[C-]=O.[Pd]
InChIInChI=1S/C3H3O3.C2H4O2.Pd/c1-3(5)6-2-4;1-2(3)4;/h1H3;1H3,(H,3,4);/q-1;;
InChIKeyDAQNBNYCZJCBML-UHFFFAOYSA-N
XLogP-0.29
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.53
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

CID 166057157
CID 166057157
acetic acid;ruthenium
CID 175502908
acetic acid;palladium
CID 58759193
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CID 175498833
acetic acid
CID 158444727
acetic acid;acetyl acetate;oxoborinic acid
CID 88675816
acetic acid;alumanyl acetate
CID 174439489
acetic acid;vanadium
CID 173443465
acetic acid;germane
CID 174334920
acetic acid;cobalt
CID 54602348
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CID 173070051
acetic acid;tris(yttrium)
CID 59994727

Frequently Asked Questions

What is the IUPAC name of acetic acid;oxomethyl acetate;palladium?
The IUPAC name of acetic acid;oxomethyl acetate;palladium (CID 22888556) is acetic acid;oxomethyl acetate;palladium.
What is the SMILES notation for acetic acid;oxomethyl acetate;palladium?
The canonical SMILES for acetic acid;oxomethyl acetate;palladium is CC(=O)O.CC(=O)O[C-]=O.[Pd].
What is the InChIKey of acetic acid;oxomethyl acetate;palladium?
The InChIKey is DAQNBNYCZJCBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3O3.C2H4O2.Pd/c1-3(5)6-2-4;1-2(3)4;/h1H3;1H3,(H,3,4);/q-1;;.
What are the key properties of acetic acid;oxomethyl acetate;palladium?
acetic acid;oxomethyl acetate;palladium has a molecular weight of 253.53 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;oxomethyl acetate;palladium is sourced from PubChem (CID 22888556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).