Basic information
- CAS
7066-29-7- Standard SMILES
Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=O)CC(C)(C)C2- InChIKey
FEZVNEWXPXLJSQ-UHFFFAOYSA-N- Molecular formula
- C22H20O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.13615911
Names & identifiers
- Preferred name
- Naphthalen-2-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
- IUPAC
- naphthalen-2-yl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate
Names & synonyms
7066-29-7DTXSID90414677AKOS002781896Naphthalen-2-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
Database identifiers
- CAS
7066-29-7- PubChem CID
- 5268564
- DTXSID
DTXSID90414677
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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