Basic information
- CAS
469-52-3- Standard SMILES
COC1=CC(=O)C2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)C(C)C1- InChIKey
FFKRWPQQTGWKIH-UHFFFAOYSA-N- Molecular formula
- C17H17ClO6
- Average molar mass
- 352.8 g/mol
- Monoisotopic mass
- 352.071366
Names & identifiers
- Preferred name
- Spiro[benzofuran-2(3H),1'-[3]cyclohexene]-2',3-dione, 7-chloro-4,4',6-trimethoxy-6'-methyl-
- IUPAC
- 7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione
Names & synonyms
Spiro[benzofuran-2(3H),1'-[3]cyclohexene]-2',3-dione, 7-chloro-4,4',6-trimethoxy-6'-methyl-DTXSID30963694FFKRWPQQTGWKIH-UHFFFAOYSA-N7-Chloro-4,4',6-trimethoxy-6'-methyl-3H-spiro[[1]benzofuran-2,1'-cyclohex[3]ene]-2',3-dione7-Chloro-4,4',6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Database identifiers
- CAS
469-52-3- PubChem CID
- 10097
- DTXSID
DTXSID30963694- Nikkaji
- J87.079J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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