Basic information
- CAS
56878-25-2- Standard SMILES
Cn1oc(=O)c(C=O)c1-c1ccccc1- InChIKey
REFHEJODAIDWGH-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-
- IUPAC
- 2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carbaldehyde
- English name
- 2,5-dihydro-2-methyl-5-oxo-3-phenylisoxazole-4-carbaldehyde
- Molecular formula
- C11H9NO3
- Molecular weight
- 203.19
Names & synonyms
56878-25-2EINECS 260-416-54-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-DTXSID90691384-Formyl-2-methyl-3-phenyl-3-isoxazoline-5-oneRefChem:524367DTXCID30421342,5-Dihydro-2-methyl-5-oxo-3-phenylisoxazole-4-carbaldehyde2-methyl-5-oxo-3-phenyl-2,5-dihydro-1,2-oxazole-4-carbaldehydeREFHEJODAIDWGH-UHFFFAOYSA-NDB-302459NS00033597
Show more names
2,5-Dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolecarbaldehyde
Database identifiers
- CAS
56878-25-2- PubChem CID
- 92555
- DTXSID
DTXSID9069138- EC Number
- 260-416-5
- Nikkaji
- J267.125E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- EPA Substance Registry System
- 4 · 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl- (56878-25-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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