Basic information
- CAS
6625-02-1- Standard SMILES
CC(=O)OC(CC(=O)O)C(Cl)(Cl)Cl- InChIKey
LXAIPLYXFWBQCO-UHFFFAOYSA-N- Molecular formula
- C6H7Cl3O4
- Average molar mass
- 249.5 g/mol
- Monoisotopic mass
- 247.940992
Names & identifiers
- Preferred name
- 3-Acetyloxy-4,4,4-trichlorobutanoic acid
- IUPAC
- 3-acetyloxy-4,4,4-trichlorobutanoic acid
Names & synonyms
6625-02-1ST0236553-acetyloxy-4,4,4-trichlorobutanoic acid3-(acetyloxy)-4,4,4-trichlorobutanoic acidNSC53873DTXSID50288033NSC-53873AKOS024278609
Database identifiers
- CAS
6625-02-1- PubChem CID
- 243729
- DTXSID
DTXSID50288033
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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