Basic information
- CAS
75315-57-0- Standard SMILES
COC(=O)C(O)c1c(Cl)c(OC)c(OC)c(OC)c1Cl- InChIKey
RKDRPMGBKZOIDE-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2O6
- Average molar mass
- 325.14 g/mol
- Monoisotopic mass
- 324.0167436
Names & identifiers
- Preferred name
- Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl ester
- IUPAC
- methyl 2-(2,6-dichloro-3,4,5-trimethoxyphenyl)-2-hydroxyacetate
Names & synonyms
75315-57-0Benzeneacetic acid, 2,6-dichloro-alpha-hydroxy-3,4,5-trimethoxy-, methyl esterDTXSID70996764Methyl (2,6-dichloro-3,4,5-trimethoxyphenyl)(hydroxy)acetate
Database identifiers
- CAS
75315-57-0- PubChem CID
- 53227
- DTXSID
DTXSID70996764- Nikkaji
- J1.590.992G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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