Basic information
- CAS
598-80-1- Standard SMILES
CC(I)C(=O)O- InChIKey
KZLYQYPURWXOEW-UHFFFAOYSA-N- Molecular formula
- C3H5IO2
- Average molar mass
- 199.97 g/mol
- Monoisotopic mass
- 199.93343
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 2-Iodopropanoic acid
- IUPAC
- 2-iodopropanoic acid
- English name
- 2-iodopropionic acid
- Molecular formula
- C3H5IO2
- Molecular weight
- 199.98
Names & synonyms
2-Iodopropanoic acid2-Iodopropionic acid598-80-1RefChem:87695Propanoic acid, 2-iodo-iodopropionic acidAlpha-iodo propionic acidPropionic acid, 2-iodo-SCHEMBL515943SCHEMBL9397815CHEMBL4641458DTXSID30902407
Show more names
AKOS006279334
Database identifiers
- CAS
598-80-1- PubChem CID
- 150784
- DTXSID
DTXSID30902407- ChEMBL
CHEMBL4641458- Nikkaji
- J2.723E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 61.8
Physicochemical properties
- Melting point
- 45 · 45.0-45.5 °C
- Boiling point
- 244.6 · 244.6±23.0 °C(Predicted)
- Density
- 2.073 g/cm3 · 2.073 g/cm3(Temp: 18 °C)
- pka
- 1 · pK1:3.11 (25°C)
Chemistry & industry
Suppliers4 total
上海马氏化学科技有限公司19916721580 · [email protected]
安庆合生药业有限公司0556-5200952 18156626239 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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