10H-6,9,11-Trioxabenzo[3,4]cyclohepta[1,2-f]inden-7(5H)-one
Basic information
- CAS
61441-04-1- Standard SMILES
O=C1OCc2ccccc2-c2cc3c(cc21)OCO3- InChIKey
WLTXPRJEIZOXTI-UHFFFAOYSA-N- Molecular formula
- C15H10O4
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.0579088
Names & identifiers
- Preferred name
- 10H-6,9,11-Trioxabenzo[3,4]cyclohepta[1,2-f]inden-7(5H)-one
- IUPAC
- 9,14,16-trioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-one
Names & synonyms
61441-04-1NSC311733DTXSID2031714710H-6,9,11-Trioxabenzo[3,4]cyclohepta[1,2-f]inden-7(5H)-oneNSC-311733
Database identifiers
- CAS
61441-04-1- PubChem CID
- 329384
- DTXSID
DTXSID20317147
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…