3-oxo-3-phenylpropanoic acid;silver

C9H8AgO3 — CID 87120895

IUPAC3-oxo-3-phenylpropanoic acid;silver
SMILESO=C(O)CC(=O)c1ccccc1.[Ag]
InChIInChI=1S/C9H8O3.Ag/c10-8(6-9(11)12)7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);
InChIKeyGWEAPQJDUBBIEY-UHFFFAOYSA-N
MW272.03 g/mol
LogP1.34
Rot. Bonds3

About 3-oxo-3-phenylpropanoic acid;silver

3-oxo-3-phenylpropanoic acid;silver (PubChem CID 87120895) has the molecular formula C9H8AgO3 and a molecular weight of 272.03 g/mol. Its IUPAC name is 3-oxo-3-phenylpropanoic acid;silver.

Molecular Properties

Compound Name3-oxo-3-phenylpropanoic acid;silver
PubChem CID87120895
Molecular FormulaC9H8AgO3
Molecular Weight272.03 g/mol
Exact Mass270.95
IUPAC Name3-oxo-3-phenylpropanoic acid;silver
SMILESO=C(O)CC(=O)c1ccccc1.[Ag]
InChIInChI=1S/C9H8O3.Ag/c10-8(6-9(11)12)7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);
InChIKeyGWEAPQJDUBBIEY-UHFFFAOYSA-N
XLogP1.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.03
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzoylphenyl)-3-oxopropanoic acid
CID 170886863
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
3-[2-(2-carboxyacetyl)phenyl]-3-oxopropanoic acid
CID 141323218
chromium(2+);tris(3-oxo-3-phenylpropanoate)
CID 20833080
tetrakis(2,4-dioxo-4-phenylbutanoic acid);zirconium(4+)
CID 175883253
silver 3-oxo-3-phenylpropanoate
CID 86633512
erbium;1-phenylbutane-1,3-dione
CID 175058632
(3-oxo-3-phenylpropanoyl) 3-oxo-3-phenylpropanoate
CID 87499200
cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)
CID 175080767
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-phenylpropanoic acid;silver?
The IUPAC name of 3-oxo-3-phenylpropanoic acid;silver (CID 87120895) is 3-oxo-3-phenylpropanoic acid;silver.
What is the SMILES notation for 3-oxo-3-phenylpropanoic acid;silver?
The canonical SMILES for 3-oxo-3-phenylpropanoic acid;silver is O=C(O)CC(=O)c1ccccc1.[Ag].
What is the InChIKey of 3-oxo-3-phenylpropanoic acid;silver?
The InChIKey is GWEAPQJDUBBIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.Ag/c10-8(6-9(11)12)7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);.
What are the key properties of 3-oxo-3-phenylpropanoic acid;silver?
3-oxo-3-phenylpropanoic acid;silver has a molecular weight of 272.03 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-phenylpropanoic acid;silver is sourced from PubChem (CID 87120895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).