Basic information
- CAS
5050-56-6- Standard SMILES
O=C(O)CC1OC(C(Cl)(Cl)Cl)OC1=O- InChIKey
IVSTXFYJHXMXFM-UHFFFAOYSA-N- Molecular formula
- C6H5Cl3O5
- Average molar mass
- 263.5 g/mol
- Monoisotopic mass
- 261.920256
Names & identifiers
- Preferred name
- 1,3-Dioxolane-4-acetic acid, 5-oxo-2-(trichloromethyl)-
- IUPAC
- 2-[5-oxo-2-(trichloromethyl)-1,3-dioxolan-4-yl]acetic acid
Names & synonyms
1,3-Dioxolane-4-acetic acid, 5-oxo-2-(trichloromethyl)-5050-56-6DTXSID70339990RefChem:218977DTXCID40291071SCHEMBL9786131,3-Dioxolan-4-on-5-acetic acid, 3-trichloromethyl-IVSTXFYJHXMXFM-UHFFFAOYSA-N[5-Oxo-2-(trichloromethyl)-1,3-dioxolan-4-yl]acetic acid[5-Oxo-2-(trichloromethyl)-1,3-dioxolan-4-yl]acetic acid #
Database identifiers
- CAS
5050-56-6- PubChem CID
- 560646
- DTXSID
DTXSID70339990- Nikkaji
- J246.486A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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