Basic information
- CAS
63906-36-5- Standard SMILES
O=C(CI)OCCO- InChIKey
FOIIJWYEDSCAHL-UHFFFAOYSA-N- Molecular formula
- C4H7IO3
- Average molar mass
- 230 g/mol
- Monoisotopic mass
- 229.94399
Names & identifiers
- Preferred name
- Acetic acid, iodo-, 2-hydroxyethyl ester
- IUPAC
- 2-hydroxyethyl 2-iodoacetate
- English name
- Iodoacetic acid 2-hydroxyethyl ester
- Molecular formula
- C4H7IO3
- Molecular weight
- 230
Names & synonyms
2-Hydroxyethyl iodoacetate63906-36-5ACETIC ACID, IODO-, 2-HYDROXYETHYL ESTERAcetic acid, iodo-, monoester with ethylene glycolDTXSID10213568RefChem:316642DTXCID40136059iodoacetic acid 2-hydroxyethyl esterSCHEMBL15259111DB-297667S-64Acetic acid, 2-iodo-, 2-hydroxyethyl ester
Database identifiers
- CAS
63906-36-5- PubChem CID
- 45142
- DTXSID
DTXSID10213568- Nikkaji
- J86.216I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 73.7
Physicochemical properties
- Density
- 1.8707 · 1.8707 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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