11-(Methoxycarbonyl methylidene) dibenzo (b,e)-1,4-dioxepin
Basic information
- CAS
85508-32-3- Standard SMILES
COC(=O)C=C1Oc2ccccc2Oc2ccccc21- InChIKey
NAIDLBXXPCUDGF-UHFFFAOYSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- 11-(Methoxycarbonyl methylidene) dibenzo (b,e)-1,4-dioxepin
- IUPAC
- methyl 2-benzo[b][1,4]benzodioxepin-6-ylideneacetate
Names & synonyms
NAIDLBXXPCUDGF-UHFFFAOYSA-NDTXSID801006073NS00066264Methyl (11H-dibenzo[b,e][1,4]dioxepin-11-ylidene)acetate11-(methoxycarbonyl methylidene) dibenzo (b,e)-1,4-dioxepin
Database identifiers
- CAS
85508-32-3- PubChem CID
- 54100731
- DTXSID
DTXSID801006073
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
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Related reactions
2 records
Compound notes
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