silver 3-oxo-3-phenylpropanoate

C9H7AgO3 — CID 86633512

IUPACsilver 3-oxo-3-phenylpropanoate
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);/q;+1/p-1
InChIKeyIHPDLWRQAUIWEQ-UHFFFAOYSA-M
MW271.02 g/mol
LogP0.01
Rot. Bonds3

About silver 3-oxo-3-phenylpropanoate

silver 3-oxo-3-phenylpropanoate (PubChem CID 86633512) has the molecular formula C9H7AgO3 and a molecular weight of 271.02 g/mol. Its IUPAC name is silver 3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Namesilver 3-oxo-3-phenylpropanoate
PubChem CID86633512
Molecular FormulaC9H7AgO3
Molecular Weight271.02 g/mol
Exact Mass269.94
IUPAC Namesilver 3-oxo-3-phenylpropanoate
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);/q;+1/p-1
InChIKeyIHPDLWRQAUIWEQ-UHFFFAOYSA-M
XLogP0.01
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.02
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chromium(2+);tris(3-oxo-3-phenylpropanoate)
CID 20833080
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
chromium(3+);2,4-dioxo-4-phenylbutanoate
CID 172832057
cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)
CID 175080767
tetrakis(2,4-dioxo-4-phenylbutanoic acid);zirconium(4+)
CID 175883253
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
(3-oxo-3-phenylpropanoyl) 3-oxo-3-phenylpropanoate
CID 87499200
erbium;1-phenylbutane-1,3-dione
CID 175058632
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513
dimethyl-(4-oxo-4-phenylbutan-2-ylidene)azanium
CID 134924771

Frequently Asked Questions

What is the IUPAC name of silver 3-oxo-3-phenylpropanoate?
The IUPAC name of silver 3-oxo-3-phenylpropanoate (CID 86633512) is silver 3-oxo-3-phenylpropanoate.
What is the SMILES notation for silver 3-oxo-3-phenylpropanoate?
The canonical SMILES for silver 3-oxo-3-phenylpropanoate is O=C([O-])CC(=O)c1ccccc1.[Ag+].
What is the InChIKey of silver 3-oxo-3-phenylpropanoate?
The InChIKey is IHPDLWRQAUIWEQ-UHFFFAOYSA-M. 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);/q;+1/p-1.
What are the key properties of silver 3-oxo-3-phenylpropanoate?
silver 3-oxo-3-phenylpropanoate has a molecular weight of 271.02 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silver 3-oxo-3-phenylpropanoate is sourced from PubChem (CID 86633512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).