2-Phenoxycyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
3490-49-1- Standard SMILES
O=C1C=CC(=O)C(Oc2ccccc2)=C1- InChIKey
YKYILJANBFCBQH-UHFFFAOYSA-N- Molecular formula
- C12H8O3
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.04734411
Names & identifiers
- Preferred name
- 2-Phenoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-phenoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
2-phenoxycyclohexa-2,5-diene-1,4-dione3490-49-1DTXSID80291454RefChem:265111DTXCID90242598phenoxyquinoneNSC75681SCHEMBL3363900NSC-75681AKOS015900227
Database identifiers
- CAS
3490-49-1- PubChem CID
- 253140
- DTXSID
DTXSID80291454- Nikkaji
- J1.801.194H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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