2-oxo-2-phenylacetic acid;yttrium

C8H6O3Y — CID 20801354

IUPAC2-oxo-2-phenylacetic acid;yttrium
SMILESO=C(O)C(=O)c1ccccc1.[Y]
InChIInChI=1S/C8H6O3.Y/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);
InChIKeyNYWPAJNUARNVJC-UHFFFAOYSA-N
MW239.04 g/mol
LogP0.95
Rot. Bonds2

About 2-oxo-2-phenylacetic acid;yttrium

2-oxo-2-phenylacetic acid;yttrium (PubChem CID 20801354) has the molecular formula C8H6O3Y and a molecular weight of 239.04 g/mol. Its IUPAC name is 2-oxo-2-phenylacetic acid;yttrium.

Molecular Properties

Compound Name2-oxo-2-phenylacetic acid;yttrium
PubChem CID20801354
Molecular FormulaC8H6O3Y
Molecular Weight239.04 g/mol
Exact Mass238.94
IUPAC Name2-oxo-2-phenylacetic acid;yttrium
SMILESO=C(O)C(=O)c1ccccc1.[Y]
InChIInChI=1S/C8H6O3.Y/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);
InChIKeyNYWPAJNUARNVJC-UHFFFAOYSA-N
XLogP0.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.04
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
2,3-dibenzoylbuta-1,3-diene-1,4-dione
CID 134874664
2-oxo-2-(4-phenylsulfanylphenyl)acetic acid
CID 59163537
benzoic acid;2,2-dimethylpropane-1,3-diol;2-oxo-2-phenylacetic acid
CID 90416773
benzoic acid;2,5-dimethylhexane-2,5-diol;2-oxo-2-phenylacetic acid
CID 90417845
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
CID 88738435

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-phenylacetic acid;yttrium?
The IUPAC name of 2-oxo-2-phenylacetic acid;yttrium (CID 20801354) is 2-oxo-2-phenylacetic acid;yttrium.
What is the SMILES notation for 2-oxo-2-phenylacetic acid;yttrium?
The canonical SMILES for 2-oxo-2-phenylacetic acid;yttrium is O=C(O)C(=O)c1ccccc1.[Y].
What is the InChIKey of 2-oxo-2-phenylacetic acid;yttrium?
The InChIKey is NYWPAJNUARNVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3.Y/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);.
What are the key properties of 2-oxo-2-phenylacetic acid;yttrium?
2-oxo-2-phenylacetic acid;yttrium has a molecular weight of 239.04 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-phenylacetic acid;yttrium is sourced from PubChem (CID 20801354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).