Basic information
- CAS
65495-78-5- Standard SMILES
COC(=O)C=CCI- InChIKey
CQXZCMOTWVQDLY-UHFFFAOYSA-N- Molecular formula
- C5H7IO2
- Average molar mass
- 226.01 g/mol
- Monoisotopic mass
- 225.94908
Names & identifiers
- Preferred name
- Methyl 4-iodobut-2-enoate
- IUPAC
- methyl 4-iodobut-2-enoate
Names & synonyms
65495-78-5Methyl 4-iodobut-2-enoateSCHEMBL18335470DTXSID40706296
Database identifiers
- CAS
65495-78-5- PubChem CID
- 53735596
- DTXSID
DTXSID40706296
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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