Basic information
- CAS
6549-59-3- Standard SMILES
Cc1cc(C)c(C)c(C2C(=O)c3ccccc3C2=O)c1C- InChIKey
SGBVKPAARRKINA-UHFFFAOYSA-N- Molecular formula
- C19H18O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.13067981
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-(2,3,5,6-tetramethylphenyl)-
- IUPAC
- 2-(2,3,5,6-tetramethylphenyl)indene-1,3-dione
Names & synonyms
1,3-Indandione, 2-(2,3,5,6-tetramethylphenyl)-BRN 19878422-(2,3,5,6-Tetramethylphenyl)-1,3-indandione6549-59-31H-Indene-1,3(2H)-dione, 2-(2,3,5,6-tetramethylphenyl)-DTXSID70215801RefChem:219259DTXCID601382922-(2,3,5,6-Tetramethylphenyl)-1H-indene-1,3(2H)-dione
Database identifiers
- CAS
6549-59-3- PubChem CID
- 201681
- DTXSID
DTXSID70215801
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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