Basic information
- CAS
91957-90-3- Standard SMILES
CC(C)C1(c2ccccc2)COC(=O)NC1=O- InChIKey
MYPHVHWOFMDRLT-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- 4-Hydroxy-5-phenyl-5-(propan-2-yl)-5,6-dihydro-2H-1,3-oxazin-2-one
- IUPAC
- 5-phenyl-5-propan-2-yl-1,3-oxazinane-2,4-dione
- English name
- 5,6-Dihydro-5-isopropyl-5-phenyl-2H-1,3-oxazine-2,4(3H)-dione
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
91957-90-3DTXSID109194374-Hydroxy-5-phenyl-5-(propan-2-yl)-5,6-dihydro-2H-1,3-oxazin-2-oneRefChem:1070795DTXCID101348367L 2010Dihydro-5-isopropyl-5-phenyl-2H-1,3-oxazine-2,4(3H)-dione5-phenyl-5-propan-2-yl-1,3-oxazinane-2,4-dioneBRN 0204806L-2010Diidro-5-isopropil-5-fenil-2H-1,3-ossazin-2,4(3H)-dione [Italian]5-isopropyl-5-phenyl-1,3-oxazinane-2,4-dione
Show more names
5,6-Dihydro-5-isopropyl-5-phenyl-2H-1,3-oxazine-2,4(3H)-dione2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5-(1-methylethyl)-5-phenyl-
orb1696731Diidro-5-isopropil-5-fenil-2H-1,3-ossazin-2,4(3H)-dione2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5-isopropyl-5-phenyl-AKOS040752295T32437
Database identifiers
- CAS
91957-90-3- PubChem CID
- 3045308
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 7.45 · 7.45±0.40(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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