Basic information
- CAS
58443-65-5- Standard SMILES
O=C1OCc2cc3c(cc2-c2ccccc21)OCO3- InChIKey
GSFXYCYQOFBRFI-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-5(7H)-one
- IUPAC
- 9,14,16-trioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2,4,6,11,13(17)-hexaen-8-one
Names & synonyms
58443-65-5NSC311730DTXSID4031714410H-6,9,11-Trioxabenzo[3,4]cyclohepta[1,2-f]inden-5(7H)-oneNSC-311730
Database identifiers
- CAS
58443-65-5- PubChem CID
- 329381
- DTXSID
DTXSID40317144
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
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