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4a-phenyl-2,3,4,9b-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine (HCID 13469646)|Huagongshe
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Compound
4a-phenyl-2,3,4,9b-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine
HCID
13469646
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
c1ccc(C23CCNCC2c2ccccc2O3)cc1
InChIKey
OYSYQBORYSLVIT-UHFFFAOYSA-N
Molecular formula
C17H17NO
Average molar mass
251.32 g/mol
Names & identifiers
Preferred name
4a-phenyl-2,3,4,9b-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine
IUPAC
4a-phenyl-2,3,4,9b-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine
Names & synonyms
SCHEMBL10652361
Database identifiers
PubChem CID
13469646
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Formal charge
0
Complexity
325
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Related reactions
3 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
168680
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
187929
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1232976
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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