2-iodooxy-2-oxoacetic acid

C2HIO4 — CID 90996944

IUPAC2-iodooxy-2-oxoacetic acid
SMILESO=C(O)C(=O)OI
InChIInChI=1S/C2HIO4/c3-7-2(6)1(4)5/h(H,4,5)
InChIKeyILSDVTOKSLSHSP-UHFFFAOYSA-N
MW215.93 g/mol
LogP-0.04
Rot. Bonds

About 2-iodooxy-2-oxoacetic acid

2-iodooxy-2-oxoacetic acid (PubChem CID 90996944) has the molecular formula C2HIO4 and a molecular weight of 215.93 g/mol. Its IUPAC name is 2-iodooxy-2-oxoacetic acid.

Molecular Properties

Compound Name2-iodooxy-2-oxoacetic acid
PubChem CID90996944
Molecular FormulaC2HIO4
Molecular Weight215.93 g/mol
Exact Mass215.89
IUPAC Name2-iodooxy-2-oxoacetic acid
SMILESO=C(O)C(=O)OI
InChIInChI=1S/C2HIO4/c3-7-2(6)1(4)5/h(H,4,5)
InChIKeyILSDVTOKSLSHSP-UHFFFAOYSA-N
XLogP-0.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.93
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 175320854
CID 175320854
iodo 2-fluoroprop-2-enoate
CID 166890088
cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
CID 174864025
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801
ethane;2-methoxy-2-oxoacetic acid
CID 175061457
2-oxalooxyperoxy-2-oxoacetic acid;dihydrate
CID 141168013
2-(iodomethylperoxy)-2-oxoacetic acid
CID 159683751
dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
CID 173339501
carbonic acid;ruthenium
CID 87059075
iodo acetate;hydrochloride
CID 22153279
sodium iodo carbonate
CID 174948580
2-(dichloromethoxy)-2-oxoacetic acid
CID 139843444

Frequently Asked Questions

What is the IUPAC name of 2-iodooxy-2-oxoacetic acid?
The IUPAC name of 2-iodooxy-2-oxoacetic acid (CID 90996944) is 2-iodooxy-2-oxoacetic acid.
What is the SMILES notation for 2-iodooxy-2-oxoacetic acid?
The canonical SMILES for 2-iodooxy-2-oxoacetic acid is O=C(O)C(=O)OI.
What is the InChIKey of 2-iodooxy-2-oxoacetic acid?
The InChIKey is ILSDVTOKSLSHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HIO4/c3-7-2(6)1(4)5/h(H,4,5).
What are the key properties of 2-iodooxy-2-oxoacetic acid?
2-iodooxy-2-oxoacetic acid has a molecular weight of 215.93 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodooxy-2-oxoacetic acid is sourced from PubChem (CID 90996944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).