Basic information
- Standard SMILES
COC(=O)c1ccc2c(c1)C(=O)c1ccccc1CO2- InChIKey
BCKOLYPIPZRJEL-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate
- IUPAC
- methyl 11-oxo-6H-benzo[c][1]benzoxepine-2-carboxylate
Names & synonyms
79669-87-7methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylatemethyl 11-oxo-6H-benzo[c][1]benzoxepine-2-carboxylate11-OXO-6,11-DIHYDRO-DIBENZOB,EOXEPINE-2-CARBOXYLIC ACID METHYL ESTERMFCD0024341911-OXO-6,11-DIHYDRO-DIBENZOB,EOXEPINE-2-CARBOXYLICACIDMETHYLESTEROlopatadine Impurity 53Bionet2_00081311-OXO-6,11-DIHYDRO-DIBENZO[B,E]OXEPINE-2-CARBOXYLIC ACID METHYL ESTEROprea1_064047SCHEMBL8797606BCKOLYPIPZRJEL-UHFFFAOYSA-N
Show more names
HMS1366E21AKOS005080347CS-0331039methyl 11-oxodibenz[b,e]oxepin-2-carboxylate12K-016methyl 11-oxo-6,11-dihydrodibenz[b,e]oxepin-2-carboxylateMethyl 6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-carboxylatemethyl 2-oxo-9-oxatricyclo[9.4.0.0?,?]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylate
Database identifiers
- PubChem CID
- 2769045
- Nikkaji
- J550.540B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 392
Related reactions
6 records
Compound notes
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