3-Propionyl-2,1-benzisoxazole
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Basic information
- Standard SMILES
CCC(=O)c1onc2ccccc12- InChIKey
YDWKYECLNLURGV-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
Names & identifiers
- Preferred name
- 3-Propionyl-2,1-benzisoxazole
- IUPAC
- 1-(2,1-benzoxazol-3-yl)propan-1-one
Names & synonyms
3-propionyl-2,1-benzisoxazoleSCHEMBL88801283-Propionyl-2,1-benzoisoxazoleYDWKYECLNLURGV-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19976922
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
5 records
Compound notes
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