Basic information
- CAS
75315-51-4- Standard SMILES
COc1c(O)c(OC)c(Cl)c(C(O)C(=O)O)c1Cl- InChIKey
ASMJGUCJIFBKKK-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O6
- Average molar mass
- 297.09 g/mol
- Monoisotopic mass
- 295.9854434
Names & identifiers
- Preferred name
- Benzeneacetic acid, 2,6-dichloro-alpha,4-dihydroxy-3,5-dimethoxy-
- IUPAC
- 2-(2,6-dichloro-4-hydroxy-3,5-dimethoxyphenyl)-2-hydroxyacetic acid
Names & synonyms
75315-51-4Benzeneacetic acid, 2,6-dichloro-alpha,4-dihydroxy-3,5-dimethoxy-DTXSID50996762(2,6-Dichloro-4-hydroxy-3,5-dimethoxyphenyl)(hydroxy)acetic acid
Database identifiers
- CAS
75315-51-4- PubChem CID
- 53223
- DTXSID
DTXSID50996762- Nikkaji
- J1.590.987K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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