Ketone, 3-oxazolidinyl 3,4,5-triethoxyphenyl
Basic information
- CAS
50916-12-6- Standard SMILES
CCOc1cc(C(=O)N2CCOC2)cc(OCC)c1OCC- InChIKey
RAAQEDBVHVGGAB-UHFFFAOYSA-N- Molecular formula
- C16H23NO5
- Average molar mass
- 309.36 g/mol
- Monoisotopic mass
- 309.15762283
Names & identifiers
- Preferred name
- Ketone, 3-oxazolidinyl 3,4,5-triethoxyphenyl
- IUPAC
- 1,3-oxazolidin-3-yl-(3,4,5-triethoxyphenyl)methanone
Names & synonyms
BRN 1152560KETONE, 3-OXAZOLIDINYL 3,4,5-TRIETHOXYPHENYLOxazolidine, 3-(3,4,5-triethoxybenzoyl)-50916-12-6DTXSID60198957RefChem:350417DTXCID20121448(1,3-Oxazolidin-3-yl)(3,4,5-triethoxyphenyl)methanone
Database identifiers
- CAS
50916-12-6- PubChem CID
- 39847
- DTXSID
DTXSID60198957- Nikkaji
- J62.536A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 335
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Compound notes
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