Basic information
- CAS
38318-63-7- Standard SMILES
CCOC(=O)/C=C(\I)C(=O)OCC- InChIKey
JIWZEOZISPXCRS-WAYWQWQTSA-N- Molecular formula
- C8H11IO4
- Average molar mass
- 298.07 g/mol
Names & identifiers
- Preferred name
- Diethyl iodofumarate
- IUPAC
- diethyl (Z)-2-iodobut-2-enedioate
Names & synonyms
38318-63-7Diethyl iodofumarateNSC296517diethyl iodo-fumarate2-Butenedioic acid, 2-iodo-, diethyl ester, (Z)-SCHEMBL4250561JIWZEOZISPXCRS-WAYWQWQTSA-NNSC 296517NSC-296517
Database identifiers
- CAS
38318-63-7- PubChem CID
- 5359100
Properties
Computed structural properties
- 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
Compound notes
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