Completing data — usually done within a minute
Basic information
- CAS
6006-83-3- Standard SMILES
O=C1c2ccccc2C(=O)c2cc3cc4ccccc4cc3cc21- InChIKey
WZMPFLVAXXQDRG-UHFFFAOYSA-N- Molecular formula
- C22H12O2
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.08372962
Names & identifiers
- Preferred name
- 5,14-Pentacenedione
- IUPAC
- pentacene-5,14-dione
Names & synonyms
5,14-PentacenedionePentacene-5,14-dione6006-83-35,14-PentacenequinoneSCHEMBL652915DTXSID70443546WZMPFLVAXXQDRG-UHFFFAOYSA-N
Database identifiers
- CAS
6006-83-3- PubChem CID
- 10686237
- DTXSID
DTXSID70443546- Nikkaji
- J874.079H
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
Related reactions
4 records
Compound notes
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