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Diethyl 2-iodobut-2-enedioate

HCID 181578
NotesReactions

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Basic information

Standard SMILES
CCOC(=O)C=C(I)C(=O)OCC
InChIKey
JIWZEOZISPXCRS-UHFFFAOYSA-N
Molecular formula
C8H11IO4
Average molar mass
298.07 g/mol

Names & identifiers

Preferred name
Diethyl 2-iodobut-2-enedioate
IUPAC
diethyl 2-iodobut-2-enedioate

Names & synonyms

SCHEMBL4250566

Database identifiers

PubChem CID
181578

Properties

Computed structural propertiesFilling in

XLogP
1.6
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
13
Formal charge
0
Complexity
222

Related reactions

2 records
New reaction record
HRID 691599 reaction equation
HRID 691599As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1233318 reaction equation
HRID 1233318As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes