2-Iodoacetate

HCID 519093

Notes Reactions

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Basic information

Standard SMILES: O=C([O-])CI
InChIKey: JDNTWHVOXJZDSN-UHFFFAOYSA-M
Molecular formula: C2H2IO2-
Average molar mass: 184.94 g/mol

Names & identifiers

Preferred name: 2-Iodoacetate
IUPAC: 2-iodoacetate

Names & synonyms

iodoacetate2-iodoacetateICH2CO2 anion

Database identifiers

PubChem CID: 519093
Nikkaji: J1.310.419K

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 40.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: -1
Complexity: 37.4

Related reactions

3 records

New reaction record

HRID 289111 reaction equation

HRID 289111As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 819510 reaction equation

HRID 819510As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1559499 reaction equation

HRID 1559499As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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