iridium;2-oxopropanoic acid

C3H4IrO3 — CID 174870791

IUPACiridium;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.[Ir]
InChIInChI=1S/C3H4O3.Ir/c1-2(4)3(5)6;/h1H3,(H,5,6);
InChIKeyFFWLOMBNOBJKMU-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.34
Rot. Bonds1

About iridium;2-oxopropanoic acid

iridium;2-oxopropanoic acid (PubChem CID 174870791) has the molecular formula C3H4IrO3 and a molecular weight of 280.28 g/mol. Its IUPAC name is iridium;2-oxopropanoic acid.

Molecular Properties

Compound Nameiridium;2-oxopropanoic acid
PubChem CID174870791
Molecular FormulaC3H4IrO3
Molecular Weight280.28 g/mol
Exact Mass280.98
IUPAC Nameiridium;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.[Ir]
InChIInChI=1S/C3H4O3.Ir/c1-2(4)3(5)6;/h1H3,(H,5,6);
InChIKeyFFWLOMBNOBJKMU-UHFFFAOYSA-N
XLogP-0.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.34
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

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trilithium;bis(2-oxopropanoic acid);borate
CID 175964793
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CID 174891727
acetyl acetate;2-oxopropanoic acid;vanadium
CID 174449179
sodium;hydride;2-oxopropanoic acid;selenous acid
CID 173349009
bromo(trifluoro)methane;2-oxopropanoic acid
CID 174527725

Frequently Asked Questions

What is the IUPAC name of iridium;2-oxopropanoic acid?
The IUPAC name of iridium;2-oxopropanoic acid (CID 174870791) is iridium;2-oxopropanoic acid.
What is the SMILES notation for iridium;2-oxopropanoic acid?
The canonical SMILES for iridium;2-oxopropanoic acid is CC(=O)C(=O)O.[Ir].
What is the InChIKey of iridium;2-oxopropanoic acid?
The InChIKey is FFWLOMBNOBJKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.Ir/c1-2(4)3(5)6;/h1H3,(H,5,6);.
What are the key properties of iridium;2-oxopropanoic acid?
iridium;2-oxopropanoic acid has a molecular weight of 280.28 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-oxopropanoic acid is sourced from PubChem (CID 174870791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).