3-tert-Butyl-4H-indeno(2,1-d)isoxazol-4-one
Basic information
- CAS
82501-33-5- Standard SMILES
CC(C)(C)c1noc2c1C(=O)c1ccccc1-2- InChIKey
BMDHNHWPNFUMLL-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- 3-tert-Butyl-4H-indeno(2,1-d)isoxazol-4-one
- IUPAC
- 3-tert-butylindeno[2,1-d][1,2]oxazol-4-one
Names & synonyms
82501-33-53-tert-Butyl-4H-indeno(2,1-d)isoxazol-4-oneYD4G6D3APGUNII-YD4G6D3APGNSC 370848NSC-370848DTXSID502318073-tert-Butyl-4H-indeno[2,1-d]isoxazol-4-one3-(1,1-DIMETHYLETHYL)-4H-INDENO(2,1-D)ISOXAZOL-4-ONE4H-INDENO(2,1-D)ISOXAZOL-4-ONE, 3-(1,1-DIMETHYLETHYL)-RefChem:95449DTXCID40154298
Show more names
NSC3708483-(tert-Butyl)-4H-indeno[2,1-d]isoxazol-4-one3-tert-butylindeno[2,1-d]isoxazol-4-one3-TERT-BUTYL-4H-INDENO[2,1-D][1,2]OXAZOL-4-ONE
Database identifiers
- CAS
82501-33-5- PubChem CID
- 340346
- DTXSID
DTXSID50231807- UNII
- YD4G6D3APG
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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