(3E)-3-[(4-Methylbenzene-1-sulfonyl)methylidene]-2,3-dihydro-4H-1-benzopyran-4-one
Basic information
- CAS
72848-66-9- Standard SMILES
Cc1ccc(S(=O)(=O)/C=C2\COc3ccccc3C2=O)cc1- InChIKey
ZJSXFBPCSYZLIY-ACCUITESSA-N- Molecular formula
- C17H14O4S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.0612801
Names & identifiers
- Preferred name
- (3E)-3-[(4-Methylbenzene-1-sulfonyl)methylidene]-2,3-dihydro-4H-1-benzopyran-4-one
- IUPAC
- (3E)-3-[(4-methylphenyl)sulfonylmethylidene]chromen-4-one
Names & synonyms
72848-66-9DTXSID60421494NSC280896NSC-280896(3E)-3-[(4-Methylbenzene-1-sulfonyl)methylidene]-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
72848-66-9- PubChem CID
- 5960330
- DTXSID
DTXSID60421494
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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