2-(2-oxalophenyl)-2-oxoacetic acid

C10H6O6 — CID 22610354

IUPAC2-(2-oxalophenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccccc1C(=O)C(=O)O
InChIInChI=1S/C10H6O6/c11-7(9(13)14)5-3-1-2-4-6(5)8(12)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyHOZFFZQRBBXYCS-UHFFFAOYSA-N
MW222.15 g/mol
LogP0.22
Rot. Bonds4

About 2-(2-oxalophenyl)-2-oxoacetic acid

2-(2-oxalophenyl)-2-oxoacetic acid (PubChem CID 22610354) has the molecular formula C10H6O6 and a molecular weight of 222.15 g/mol. Its IUPAC name is 2-(2-oxalophenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-oxalophenyl)-2-oxoacetic acid
PubChem CID22610354
Molecular FormulaC10H6O6
Molecular Weight222.15 g/mol
Exact Mass222.02
IUPAC Name2-(2-oxalophenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccccc1C(=O)C(=O)O
InChIInChI=1S/C10H6O6/c11-7(9(13)14)5-3-1-2-4-6(5)8(12)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyHOZFFZQRBBXYCS-UHFFFAOYSA-N
XLogP0.22
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxalophenolate
CID 54690432
2-(2-bromophenyl)-2-oxoacetic acid
CID 4241115
butanoic acid;2-(2-oxalophenyl)-2-oxoacetic acid
CID 67825898
2-[2-(bromomethyl)phenyl]-2-oxoacetic acid
CID 18629528
2-(2-ethylphenyl)-2-oxoacetic acid;hydrate
CID 174608087
magnesium;hydride;phthalic acid
CID 173000994
hydride;phthalic acid;rubidium(1+)
CID 173256629
dilithium;hydride;phthalic acid
CID 173011412
barium(2+);hydride;phthalic acid
CID 173000011
2-[2-(1-hydroxycyclopropyl)phenyl]-2-oxoacetic acid
CID 117109007
2-[2-(2-bromoethyl)phenyl]-2-oxoacetic acid
CID 174329046
2-oxo-2-[2-(2-phenylethyl)phenyl]acetic acid
CID 19024124

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxalophenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-oxalophenyl)-2-oxoacetic acid (CID 22610354) is 2-(2-oxalophenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-oxalophenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-oxalophenyl)-2-oxoacetic acid is O=C(O)C(=O)c1ccccc1C(=O)C(=O)O.
What is the InChIKey of 2-(2-oxalophenyl)-2-oxoacetic acid?
The InChIKey is HOZFFZQRBBXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O6/c11-7(9(13)14)5-3-1-2-4-6(5)8(12)10(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 2-(2-oxalophenyl)-2-oxoacetic acid?
2-(2-oxalophenyl)-2-oxoacetic acid has a molecular weight of 222.15 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxalophenyl)-2-oxoacetic acid is sourced from PubChem (CID 22610354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).