Benzo(kl)xanthene
Basic information
- CAS
200-23-7- Standard SMILES
c1ccc2c(c1)Oc1cccc3cccc-2c13- InChIKey
QKOSFCWXOIAFTO-UHFFFAOYSA-N- Molecular formula
- C16H10O
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.07316494
Names & identifiers
- Preferred name
- Benzo(kl)xanthene
- IUPAC
- 8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
- English name
- benzo(k l)xanthene
- Molecular formula
- C16H10O
- Molecular weight
- 218.25
Names & synonyms
Benzo[kl]xanthene200-23-7Benzo(k l)xantheneBenzo(kl)xantheneDTXSID90173813RefChem:1078850DTXCID0096304205-901-4MLS0007368818-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaeneNSC89258EINECS 205-901-4
Show more names
CHEMBL1583502SCHEMBL13309034SCHEMBL17025964SCHEMBL17025966SCHEMBL29907833HMS2787N06NSC 89258NSC-89258
Database identifiers
- CAS
200-23-7- PubChem CID
- 67456
- DTXSID
DTXSID90173813- ChEMBL
CHEMBL1583502- EC Number
- 205-901-4
- Nikkaji
- J193.675A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 109 °C · 109 °C
- Boiling point
- 395 °C · 395 °C
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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