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Carbazolone (HCID 22065876)|Huagongshe
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Compound
Carbazolone
HCID
22065876
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=C1C=CC=C2C1=Nc1ccccc12
InChIKey
AMLYRCOEFHJSFS-UHFFFAOYSA-N
Molecular formula
C12H7NO
Average molar mass
181.19 g/mol
Names & identifiers
Preferred name
Carbazolone
IUPAC
carbazol-1-one
Names & synonyms
carbazolone
ketocarbazole
oxocarbazole
SCHEMBL1506868
SCHEMBL29350249
AMLYRCOEFHJSFS-UHFFFAOYSA-N
Database identifiers
PubChem CID
22065876
Properties
Computed structural properties
XLogP
1.7
Topological polar surface area
29.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
376
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
127906
As reactant
uspto-grants-1981_03
HRID
2150559
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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