3-{(E)-[(3,4,5-Trimethoxyphenyl)methylidene]amino}-2H-1-benzopyran-2-one
Basic information
- CAS
821783-29-3- Standard SMILES
COc1cc(C=Nc2cc3ccccc3oc2=O)cc(OC)c1OC- InChIKey
ZAWRYGQEGVNMKW-UHFFFAOYSA-N- Molecular formula
- C19H17NO5
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.11067264
Names & identifiers
- Preferred name
- 3-{(E)-[(3,4,5-Trimethoxyphenyl)methylidene]amino}-2H-1-benzopyran-2-one
- IUPAC
- 3-[(3,4,5-trimethoxyphenyl)methylideneamino]chromen-2-one
Names & synonyms
821783-29-33-{(E)-[(3,4,5-Trimethoxyphenyl)methylidene]amino}-2H-1-benzopyran-2-oneDTXSID20839011
Database identifiers
- CAS
821783-29-3- PubChem CID
- 71419783
- DTXSID
DTXSID20839011
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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