(2R)-1-Cyano-3-[(2,4,6-trimethylphenyl)methoxy]propan-2-yl acetate
Basic information
- CAS
922735-38-4- Standard SMILES
CC(=O)O[C@H](CC#N)COCc1c(C)cc(C)cc1C- InChIKey
FPTSARJCAJVXIP-OAHLLOKOSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- (2R)-1-Cyano-3-[(2,4,6-trimethylphenyl)methoxy]propan-2-yl acetate
- IUPAC
- [(2R)-1-cyano-3-[(2,4,6-trimethylphenyl)methoxy]propan-2-yl] acetate
Names & synonyms
922735-38-4(2R)-1-Cyano-3-[(2,4,6-trimethylphenyl)methoxy]propan-2-yl acetateDTXSID90854635
Database identifiers
- CAS
922735-38-4- PubChem CID
- 71446136
- DTXSID
DTXSID90854635- Nikkaji
- J2.399.340F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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