Basic information
- CAS
4665-48-9- Standard SMILES
O=C(O)C1C2c3ccc4ccccc4c3C(c3ccc4ccccc4c32)C1C(=O)O- InChIKey
LBRBVSQTXLMADP-UHFFFAOYSA-N- Molecular formula
- C26H18O4
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.12050905
Names & identifiers
- Preferred name
- 1,2:5,6-Dibenzanthracene-9,10-endo-alpha,beta-succinic acid
- IUPAC
- hexacyclo[10.10.2.02,11.03,8.013,22.014,19]tetracosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene-23,24-dicarboxylic acid
- English name
- 7,14-Dihydro-7,14-ethanodibenz[a,h]anthracene-15,16-dicarboxylic acid
- Molecular formula
- C26H18O4
- Molecular weight
- 394.42
Names & synonyms
4665-48-91,2:5,6-Dibenzanthracene-9,10-endo-alpha,beta-succinic acid7,14-Dihydro-7,14-ethanodibenz(a,b)anthracene-15,16-dicarboxylic acid7,14-Ethanodibenz(a,b)anthracene-15,16-dicarboxylic acid, 7,14-dihydro-DTXSID809636297,14-dihydro-7,14-ethanobenzo[k]tetraphene-15,16-dicarboxylic acid7,14-Dihydro-7,14-ethanodibenz[a,h]anthracene-15,16-dicarboxylic acid7,14-Ethanodibenz[a,h]anthracene-15,16-dicarboxylic acid, 7,14-dihydro-
Database identifiers
- CAS
4665-48-9- PubChem CID
- 148987
- DTXSID
DTXSID80963629- Nikkaji
- J78.136C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 658
Physicochemical properties
- Melting point
- 230 °C · 230 °C
- Boiling point
- 478.64 °C · 478.64°C (rough estimate)
- Density
- 1.1574 · 1.1574 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
- pka
- 3.75 · 3.75±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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