5(4H)-isoxazolone, 4-methyl-3-phenyl-
Basic information
- CAS
23244-37-3- Standard SMILES
CC1C(=O)ON=C1c1ccccc1- InChIKey
MQVKJAPPJMXSIB-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 5(4H)-isoxazolone, 4-methyl-3-phenyl-
- IUPAC
- 4-methyl-3-phenyl-4H-1,2-oxazol-5-one
Names & synonyms
23244-37-35(4H)-isoxazolone, 4-methyl-3-phenyl-DTXSID00341849RefChem:298047DTXCID602929294-methyl-3-phenylisoxazol-5(4H)-one4-methyl-3-phenyl-4H-1,2-oxazol-5-oneSCHEMBL10046802MQVKJAPPJMXSIB-UHFFFAOYSA-N3-Phenyl-4-methyl-isoxazol-5(4H)-one4-Methyl-3-phenyl-5(4H)-isoxazolone #4-Methyl-3-phenyl-1,2-oxazol-5(4H)-one
Database identifiers
- CAS
23244-37-3- PubChem CID
- 576161
- DTXSID
DTXSID00341849
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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