Basic information
- CAS
69203-80-1- Standard SMILES
O=C1C=CC(=O)C2=C1C1C3=C(C(=O)C=CC3=O)C2c2ccccc21- InChIKey
FRPOVLNICRIZNA-UHFFFAOYSA-N- Molecular formula
- C20H10O4
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.0579088
Names & identifiers
- Preferred name
- Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9(14),11,15,17,19-heptaene-3,6,10,13-tetrone
- IUPAC
- pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9(14),11,15,17,19-heptaene-3,6,10,13-tetrone
Names & synonyms
NSC32266269203-80-1DTXSID90330848NSC-322662Pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2(7),4,9(14),11,15,17,19-heptaene-3,6,10,13-tetrone
Database identifiers
- CAS
69203-80-1- PubChem CID
- 433085
- DTXSID
DTXSID90330848- Nikkaji
- J2.391.032B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 736
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…