6a,6b,12b,12c-Tetrahydro-5,8-dioxa-dibenzo(a,i)biphenylene-6,7-dione
Basic information
- CAS
5248-11-3- Standard SMILES
O=C1Oc2ccccc2C2C1C1C(=O)Oc3ccccc3C12- InChIKey
LLDOJHIQWQQUIQ-UHFFFAOYSA-N- Molecular formula
- C18H12O4
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.07355886
Names & identifiers
- Preferred name
- 6a,6b,12b,12c-Tetrahydro-5,8-dioxa-dibenzo(a,i)biphenylene-6,7-dione
- IUPAC
- 9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
Names & synonyms
NSC 3676135248-11-3NSC3676136a,6b,12b,12c-Tetrahydro-5,8-dioxa-dibenzo(a,i)biphenylene-6,7-dione6a,6b,12b,12c-Tetrahydro-5,8-dioxa-dibenzo[a,i]biphenylene-6,7-dioneSCHEMBL20169271
Database identifiers
- CAS
5248-11-3- PubChem CID
- 494288
- Nikkaji
- J1.486.904B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 469
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Related reactions
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Compound notes
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