2-[2-(3-Methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1,2-dihydro-4H-3,1-benzoxazin-4-one
Basic information
- CAS
56478-78-5- Standard SMILES
COc1cc(/C=C/c2nc3ccccc3c(=O)o2)ccc1O- InChIKey
YNHRRKXRXMLWAP-VQHVLOKHSA-N- Molecular formula
- C17H13NO4
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.0844579
Names & identifiers
- Preferred name
- 2-[2-(3-Methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1,2-dihydro-4H-3,1-benzoxazin-4-one
- IUPAC
- 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
Names & synonyms
SCHEMBL134146DTXSID807354242-[2-(3-Methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1,2-dihydro-4H-3,1-benzoxazin-4-one56478-78-5
Database identifiers
- CAS
56478-78-5- PubChem CID
- 136337362
- DTXSID
DTXSID80735424
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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