2H-Pyrano[3,2-h][1]benzoxepin, 3,4,6,7,8,9-hexahydro-
Basic information
- CAS
57052-82-1- Standard SMILES
c1c2c(cc3c1CCCO3)OCCCC2- InChIKey
COUIJFFOVNSEQX-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 2H-Pyrano[3,2-h][1]benzoxepin, 3,4,6,7,8,9-hexahydro-
- IUPAC
- 3,4,6,7,8,9-hexahydro-2H-pyrano[3,2-h][1]benzoxepine
Names & synonyms
Dihydropyranno(3,2-H)homochroman57052-82-12H-Pyrano[3,2-h][1]benzoxepin, 3,4,6,7,8,9-hexahydro-3,4,6,7,8,9-hexahydro-2H-pyrano[3,2-h][1]benzoxepineDTXSID20346053COUIJFFOVNSEQX-UHFFFAOYSA-N3,4,6,7,8,9-Hexahydro-2H-oxepino[3,2-g]chromene #
Database identifiers
- CAS
57052-82-1- PubChem CID
- 609172
- DTXSID
DTXSID20346053
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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