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4-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxy-6,6-dimethylmorpholin-3-one (HCID 68909256)|Huagongshe
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Compound
4-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxy-6,6-dimethylmorpholin-3-one
HCID
68909256
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Basic information
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Properties
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Basic information
Standard SMILES
CC1(C)CN(C2CCOc3ccccc32)C(=O)C(O)O1
InChIKey
PTRJOBZZOJOFBR-UHFFFAOYSA-N
Molecular formula
C15H19NO4
Average molar mass
277.31 g/mol
Names & identifiers
Preferred name
4-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxy-6,6-dimethylmorpholin-3-one
IUPAC
4-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxy-6,6-dimethylmorpholin-3-one
Names & synonyms
SCHEMBL4093217
Database identifiers
PubChem CID
68909256
Properties
Computed structural properties
XLogP
1.1
Topological polar surface area
59 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Formal charge
0
Complexity
384
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Related reactions
1 records
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HRID
167385
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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