2-Methyl-4-phenylisoxazol-5(2H)-one
Basic information
- CAS
7713-58-8- Standard SMILES
Cn1cc(-c2ccccc2)c(=O)o1- InChIKey
PPEZXAYLTMFTCB-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 2-Methyl-4-phenylisoxazol-5(2H)-one
- IUPAC
- 2-methyl-4-phenyl-1,2-oxazol-5-one
Names & synonyms
2-Methyl-4-phenylisoxazol-5(2H)-one7713-60-2SCHEMBL11772806CCG-510492-methyl-4-phenyl-5(2h)-isoxazolone2-Methyl-3-phenyl-(2H)isoxazol-5-oneSR-01000640375-1
Database identifiers
- CAS
7713-58-8- PubChem CID
- 82134
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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