Benzyl (4-methyl-5-oxotetrahydrofuran-3-yl)carbamate
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Basic information
- CAS
94799-18-5- Standard SMILES
CC1C(=O)OCC1NC(=O)OCc1ccccc1- InChIKey
NESTVCOYRAOPQU-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
Names & identifiers
- Preferred name
- Benzyl (4-methyl-5-oxotetrahydrofuran-3-yl)carbamate
- IUPAC
- benzyl N-(4-methyl-5-oxooxolan-3-yl)carbamate
- English name
- Carbamic acid, (tetrahydro-4-methyl-5-oxo-3-furanyl)-, phenylmethyl ester (9CI)
- Molecular formula
- C13H15NO4
- Molecular weight
- 249.26
Names & synonyms
94799-18-5benzyl (4-methyl-5-oxotetrahydrofuran-3-yl)carbamateHMS3338H06(3S)-3-benzyloxycarbonylamino-2-methyl-γ-butirolactoneCarbamic acid, (tetrahydro-4-methyl-5-oxo-3-furanyl)-, phenylmethyl ester (9CI)
Database identifiers
- CAS
94799-18-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 461.93 · 461.930±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.235 · 1.235±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.897 · 10.897±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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