Pyrano(5,6-b)(1)benzoxole-3-carbaldehyde, 4-oxo-
Basic information
- CAS
92120-02-0- Standard SMILES
O=Cc1coc2c(oc3ccccc32)c1=O- InChIKey
QOIISJKMQBKIBK-UHFFFAOYSA-N- Molecular formula
- C12H6O4
- Average molar mass
- 214.17 g/mol
- Monoisotopic mass
- 214.02660867
Names & identifiers
- Preferred name
- Pyrano(5,6-b)(1)benzoxole-3-carbaldehyde, 4-oxo-
- IUPAC
- 4-oxopyrano[3,2-b][1]benzofuran-3-carbaldehyde
Names & synonyms
Pyrano(5,6-b)(1)benzoxole-3-carbaldehyde, 4-oxo-92120-02-04-Oxopyrano(5,6-b)(1)benzoxole-3-carbaldehydeDTXSID802388694-Oxo-4H-pyrano[3,2-b][1]benzofuran-3-carbaldehyde
Database identifiers
- CAS
92120-02-0- PubChem CID
- 176558
- DTXSID
DTXSID80238869
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 360
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Compound notes
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