Basic information
- Standard SMILES
C=CC(=O)c1ccon1- InChIKey
BEVDEJZUPFTRCM-UHFFFAOYSA-N- Molecular formula
- C6H5NO2
- Average molar mass
- 123.11 g/mol
- Monoisotopic mass
- 123.0320284
Names & identifiers
- Preferred name
- 1-(3-Isoxazolyl)-2-propen-1-one
- IUPAC
- 1-(1,2-oxazol-3-yl)prop-2-en-1-one
Names & synonyms
357405-86-81-(1,2-oxazol-3-yl)prop-2-en-1-one1-(3-Isoxazolyl)-2-propen-1-oneSCHEMBL6493242BEVDEJZUPFTRCM-UHFFFAOYSA-N1-(3-Isoxazolyl)prop-2-en-1-oneMFCD24711615SY505182EN300-1854627
Database identifiers
- PubChem CID
- 22489952
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Related reactions
4 records
Compound notes
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