Ketone, 2-isoxazolidinyl 3,4,5-triethoxyphenyl
Basic information
- CAS
50916-11-5- Standard SMILES
CCOc1cc(C(=O)C2CCON2)cc(OCC)c1OCC- InChIKey
GFQDICWUHVTRPL-UHFFFAOYSA-N- Molecular formula
- C16H23NO5
- Average molar mass
- 309.36 g/mol
- Monoisotopic mass
- 309.15762283
Names & identifiers
- Preferred name
- Ketone, 2-isoxazolidinyl 3,4,5-triethoxyphenyl
- IUPAC
- 1,2-oxazolidin-3-yl-(3,4,5-triethoxyphenyl)methanone
Names & synonyms
50916-11-5KETONE, 2-ISOXAZOLIDINYL 3,4,5-TRIETHOXYPHENYLRefChem:1087990BRN 1224607Isoxazolidine, 2-(3,4,5-triethyoxybenzoyl)-DTXSID90965199(1,2-Oxazolidin-3-yl)(3,4,5-triethoxyphenyl)methanone
Database identifiers
- CAS
50916-11-5- PubChem CID
- 39846
- DTXSID
DTXSID90965199
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 335
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Compound notes
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