N-[(5S)-5-methyl-4-oxo-1,3-dioxan-5-yl]benzamide
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Basic information
- CAS
51127-21-0- Standard SMILES
C[C@]1(NC(=O)c2ccccc2)COCOC1=O- InChIKey
CBPVXQIYADPGSJ-LBPRGKRZSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- N-[(5S)-5-methyl-4-oxo-1,3-dioxan-5-yl]benzamide
- IUPAC
- N-[(5S)-5-methyl-4-oxo-1,3-dioxan-5-yl]benzamide
- English name
- DL-5-BENZOYLAMINO-5-METHYL-4-OXO-1,3-DIOXANE, 97
- Molecular formula
- C12H13NO4
- Molecular weight
- 235.24
Names & synonyms
N-[(5S)-5-methyl-4-oxo-1,3-dioxan-5-yl]benzamide51127-21-0DTXSID00965408N-(5-Methyl-4-oxo-1,3-dioxan-5-yl)benzenecarboximidic acidN-[(5S)-5-Methyl-4-oxo-1,3-dioxan-5-yl]benzenecarboximidic acidDL-5-Benzoylamino-5-Benzamide, N-(5-methyl-4-oxo-1,3-dioxan-5-yl)-DL-5-BENZOYLAMINO-5-METHYL-4-OXO-1,3-DIOXANE, 97
Database identifiers
- CAS
51127-21-0- PubChem CID
- 7010095
- DTXSID
DTXSID00965408
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 154 · 154-159°C
- CAS DataBase Reference
- 51127 · 51127-21-0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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