4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one
Basic information
- CAS
14532-33-3- Standard SMILES
CC1=NOC(=O)C1=CC=Cc1c(C)[nH]oc1=O- InChIKey
VZFSNNVUKMJFNK-UHFFFAOYSA-N- Molecular formula
- C11H10N2O4
- Average molar mass
- 234.21 g/mol
- Monoisotopic mass
- 234.0640568
Names & identifiers
- Preferred name
- 4-[3-(5-Hydroxy-3-methylisoxazol-4-YL)allylidene]-3-methyl-(4H)isoxazol-5-one
- IUPAC
- 3-methyl-4-[3-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)prop-2-enylidene]-1,2-oxazol-5-one
- English name
- 4-[3-(5-hydroxy-3-methylisoxazol-4-yl)allylidene]-3-methyl-(4H)isoxazol-5-one
- Molecular formula
- C11H10N2O4
- Molecular weight
- 234.2081
Names & synonyms
14532-33-34-[3-(5-HYDROXY-3-METHYLISOXAZOL-4-YL)ALLYLIDENE]-3-METHYL-(4H)ISOXAZOL-5-ONE4-(3-(5-Hydroxy-3-methylisoxazol-4-yl)allylidene)-3-methyl-(4H)isoxazol-5-one4-(3-(5-Hydroxy-3-methylisoxazol-4-yl)allylidene)-3-methylisoxazol-5(4H)-oneEINECS 238-561-03-methyl-4-[3-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)prop-2-enylidene]-1,2-oxazol-5-oneDTXSID40932573VZFSNNVUKMJFNK-UHFFFAOYSA-NNS000547133-methyl-4-[3-(3-methyl-5-oxo-1,2-oxazol-4(5h)-ylidene)prop-1-en-1-yl]-1,2-oxazol-5(2h)-one4-[3-(5-Hydroxy-3-methyl-4-isoxazolyl)-2-propenylidene]-3-methyl-5(4H)-isoxazolone5(4H)-Isoxazolone, 4-[3-(5-hydroxy-3-methyl-4-isoxazolyl)-2-propen-1-ylidene]-3-methyl-
Database identifiers
- CAS
14532-33-3- PubChem CID
- 84506
- DTXSID
DTXSID40932573- EC Number
- 238-561-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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