Dinaphtho(2,3-b:2',3'-d)furan-5,7,12,13-tetrone
Basic information
- CAS
26171-90-4- Standard SMILES
O=c1c2ccccc2c(=O)c2c1oc1c(=O)c3ccccc3c(=O)c12- InChIKey
HZPLXBSZHIHWRT-UHFFFAOYSA-N- Molecular formula
- C20H8O5
- Average molar mass
- 328.3 g/mol
- Monoisotopic mass
- 328.03717335
Names & identifiers
- Preferred name
- Dinaphtho(2,3-b:2',3'-d)furan-5,7,12,13-tetrone
- IUPAC
- 12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),4,6,8,15,17,19-octaene-3,10,14,21-tetrone
- English name
- Dinaphtho[2,3-b:2',3'-d]furan-5,7,12,13-tetrone
- Molecular formula
- C20H8O5
- Molecular weight
- 328.27
Names & synonyms
EYU5Q6RR9YDinaphtho(2,3-b:2',3'-d)furan-5,7,12,13-tetrone26171-90-4Dinaphtho[2,3-b:2',3'-d]furan-5,7,12,13-tetroneRefChem:200631UNII-EYU5Q6RR9YCHEMBL4437459SCHEMBL16745322SCHEMBL30574286HZPLXBSZHIHWRT-UHFFFAOYSA-NDinaphtho[2,3-b:2,3-d]furan-5,7,12,13-tetrone #
Database identifiers
- CAS
26171-90-4- PubChem CID
- 630063
- ChEMBL
CHEMBL4437459- UNII
- EYU5Q6RR9Y
- Nikkaji
- J132.838G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 611
Physicochemical properties
- Melting point
- 347 °C · 347 °C (decomp)
- Boiling point
- 588.2 · 588.2±49.0 °C(Predicted)
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- FDA UNII
- 5 Q6RR9Y · EYU5Q6RR9Y
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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