3-(4-Methylphenyl)-5(4H)-isoxazolone
Basic information
- CAS
25755-82-2- Standard SMILES
Cc1ccc(C2=NOC(=O)C2)cc1- InChIKey
IADHZJJQULYQGB-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 3-(4-Methylphenyl)-5(4H)-isoxazolone
- IUPAC
- 3-(4-methylphenyl)-4H-1,2-oxazol-5-one
- English name
- 3-(4-Methylphenyl)-5(4H)-isoxazolone
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
25755-82-23-(4-Methylphenyl)-5(4H)-isoxazoloneDTXSID20344897RefChem:274809DTXCID802959723-(p-tolyl)isoxazol-5(4H)-one3-(4-methylphenyl)-4H-1,2-oxazol-5-oneIADHZJJQULYQGB-UHFFFAOYSA-NAKOS0063273324,5-Dihydro-5-oxo-3-(p-tolyl)isoxazole3-(4-Methylphenyl)-5(4H)-isoxazolone #4,5-dihydro-5-oxo-3-(p-tolyl) isoxazole
Show more names
3-p-tolylisoxazol-5-one5(4H)-Isoxazolone, 3-(4-methylphenyl)-
3-(4-Methylphenyl)-1,2-oxazol-5(4H)-one
Database identifiers
- CAS
25755-82-2- PubChem CID
- 600231
- DTXSID
DTXSID20344897- Nikkaji
- J469.008G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 262.827 · 262.827±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.216 · 1.216±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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