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2-(2-Hydroxyphenyl)-1-(3-hydroxypyrrolidin-1-yl)ethanone

HCID 69560384
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(Cc1ccccc1O)N1CCC(O)C1
InChIKey
LPPJQPJCWSLWAO-UHFFFAOYSA-N
Molecular formula
C12H15NO3
Average molar mass
221.25 g/mol

Names & identifiers

Preferred name
2-(2-Hydroxyphenyl)-1-(3-hydroxypyrrolidin-1-yl)ethanone
IUPAC
2-(2-hydroxyphenyl)-1-(3-hydroxypyrrolidin-1-yl)ethanone

Names & synonyms

SCHEMBL5771133AKOS019308033

Database identifiers

PubChem CID
69560384

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
60.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
257

Related reactions

2 records
New reaction record
HRID 120677 reaction equation
HRID 120677As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 833875 reaction equation
HRID 833875As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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