Basic information
- CAS
75910-39-3- Standard SMILES
CCCS(=O)(=O)/C=C/C(=O)c1ccc2ccccc2c1- InChIKey
VYSXZPBWOCXABR-PKNBQFBNSA-N- Molecular formula
- C16H16O3S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.08201554
Names & identifiers
- Preferred name
- (2E)-1-(Naphthalen-2-YL)-3-(propane-1-sulfonyl)prop-2-EN-1-one
- IUPAC
- (E)-1-naphthalen-2-yl-3-propylsulfonylprop-2-en-1-one
Names & synonyms
NSC28316575910-39-3DTXSID70421506NSC-283165(2E)-1-(NAPHTHALEN-2-YL)-3-(PROPANE-1-SULFONYL)PROP-2-EN-1-ONE
Database identifiers
- CAS
75910-39-3- PubChem CID
- 5962006
- DTXSID
DTXSID70421506
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…