Basic information
- CAS
41426-52-2- Standard SMILES
C(C=Cc1nc2ccccc2o1)=Cc1ccccc1- InChIKey
RHZOCEJQKAVUDD-UHFFFAOYSA-N- Molecular formula
- C17H13NO
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.09971404
Names & identifiers
- Preferred name
- 2-(4-Phenylbuta-1,3-dien-1-yl)-1,3-benzoxazole
- IUPAC
- 2-(4-phenylbuta-1,3-dienyl)-1,3-benzoxazole
Names & synonyms
41426-52-22-(4-Phenylbuta-1,3-dien-1-yl)-1,3-benzoxazoleDTXSID70785610
Database identifiers
- CAS
41426-52-2- PubChem CID
- 71361963
- DTXSID
DTXSID70785610
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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