Morpholine, 4-(4-hydroxy-3-methoxycinnamoyl)-, acetate
Basic information
- CAS
16562-72-4- Standard SMILES
COc1cc(/C=C/C(=O)N2CCOCC2)ccc1OC(C)=O- InChIKey
NLDFRYFDOLAMCA-UHFFFAOYSA-N- Molecular formula
- C16H19NO5
- Average molar mass
- 305.32 g/mol
- Monoisotopic mass
- 305.12632271
Names & identifiers
- Preferred name
- Morpholine, 4-(4-hydroxy-3-methoxycinnamoyl)-, acetate
- IUPAC
- [2-methoxy-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl] acetate
- English name
- 4-[3-(4-Acetoxy-3-methoxyphenyl)-1-oxo-2-propenyl]morpholine
- Molecular formula
- C16H19NO5
- Molecular weight
- 305.33
Names & synonyms
16562-72-4Morpholine, 4-(4-hydroxy-3-methoxycinnamoyl)-, acetateRefChem:1089990LG 50,159[2-methoxy-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl] acetate4-[3-(4-Acetoxy-3-methoxyphenyl)-1-oxo-2-propenyl]morpholineLG-501594-[3-(4-acetoxy-3-methoxy-phenyl)-acryloyl]-morpholine2-Propen-1-one, 3-[4-(acetyloxy)-3-methoxyphenyl]-1-(4-morpholinyl)-
Database identifiers
- CAS
16562-72-4- PubChem CID
- 6444744
- Nikkaji
- J41.786F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Boiling point
- 489.5 · 489.5±45.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- -1.07 · -1.07±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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