Basic information
- CAS
4445-34-5- Standard SMILES
O=C1OCc2ccccc2-c2ccccc21- InChIKey
UYCIYTZGOBZBME-UHFFFAOYSA-N- Molecular formula
- C14H10O2
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.06807956
Names & identifiers
- Preferred name
- Dibenz(c,e)oxepin-5(7H)-one
- IUPAC
- 7H-benzo[d][2]benzoxepin-5-one
- English name
- Dibenz(c,e)oxepine-5(7H)-one
- Molecular formula
- C14H10O2
- Molecular weight
- 210.23
Names & synonyms
4445-34-5Dibenz[c,e]oxepin-5(7H)-onedibenz(c,e)oxepin-5(7h)-oneRefChem:337034dibenzo[c,e]oxepin-5(7H)-oneDibenz(c,e)oxepine-5(7H)-one7H-benzo[d][2]benzoxepin-5-oneMFCD001149237H-dibenzo[c,e]oxepin-5-oneSCHEMBL2208963SCHEMBL31503957DTXSID20404889
Show more names
Diphenide
UYCIYTZGOBZBME-UHFFFAOYSA-N5H-benzo[d][2]benzoxepin-7-oneAKOS000276674BS-28798
Database identifiers
- CAS
4445-34-5- PubChem CID
- 4613402
- DTXSID
DTXSID20404889- Nikkaji
- J1.454.898J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 132 · 132-135 °C
- Boiling point
- 424.2 · 424.2±24.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Related reactions
8 records
Compound notes
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